| 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 | 35 | Very low | 34.6 | Very low | 166 Ų | 166 | 151.7 Ų | 151.7 | 100% | 1.078 | 84% | 0.843 | S | S | * | * | 0 | 104 | 0 | 14.1 | 9.8 | 0 | 0 | 0 | 110.3 | |||||
| 2 | S | 32.1 | Very low | 35 | Very low | 103 Ų | 103 | 153.5 Ų | 153.5 | 72% | 0.72 | 85% | 0.848 | S | S | * | * | 63.1 | 122.1 | 85.4 | 65.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 3 | L | 34.4 | Very low | 35.4 | Very low | 149 Ų | 149 | 154.5 Ų | 154.5 | 78% | 0.78 | 84% | 0.843 | S | S | * | * | cis | -160.3 | 146.5 | 20.5 | -108 | 149.2 | 0 | 0 | 0 | 111.8 | ||||
| 4 | T | 36.2 | Very low | 35.3 | Very low | 127 Ų | 127 | 155.1 Ų | 155.1 | 78% | 0.779 | 85% | 0.845 | S | S | * | * | trans | 22.2 | 132.5 | 145.8 | 53.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 5 | Q | 37.5 | Very low | 35.7 | Very low | 191 Ų | 191 | 153.5 Ų | 153.5 | 89% | 0.893 | 84% | 0.836 | S | S | * | * | trans | -114.8 | 127.9 | 160.5 | -164 | 170 | 30.8 | 0 | 0 | 112.2 | ||||
| 6 | S | 34.5 | Very low | 35.5 | Very low | 120 Ų | 120 | 156.9 Ų | 156.9 | 84% | 0.839 | 84% | 0.84 | S | S | * | * | trans | 0.1 | 125.5 | 167.6 | -59.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 7 | G | 31.9 | Very low | 35.5 | Very low | 79 Ų | 79 | 153.8 Ų | 153.8 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | trans | -147.4 | 117.3 | 148.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 8 | K | 35.9 | Very low | 35.6 | Very low | 205 Ų | 205 | 149.8 Ų | 149.8 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | trans | -79.7 | 148.2 | -171.2 | -75.3 | 179.4 | 177.7 | 177 | 0 | 112.6 | F10 | K8-F10 PolarHBondContact O-N 3.43Š| ||
| 9 | I | 35.1 | Very low | 35.5 | Very low | 151 Ų | 151 | 153 Ų | 153 | 77% | 0.774 | 83% | 0.83 | S | S | * | * | trans | -52.4 | 130.8 | 173.1 | -62.8 | 168.7 | 0 | 0 | 0 | 110.8 | ||||
| 10 | F | 35.2 | Very low | 35.7 | Very low | 208 Ų | 208 | 154.3 Ų | 154.3 | 91% | 0.912 | 83% | 0.83 | S | S | * | * | trans | -120.9 | 138.8 | 153.1 | -110.3 | -90.7 | 0 | 0 | 0 | 109 | K8 | K8-F10 PolarHBondContact O-N 3.43Š| ||
| 11 | Q | 32.6 | Very low | 35.9 | Very low | 170 Ų | 170 | 151.5 Ų | 151.5 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | -82.8 | 148.4 | -174.5 | -69.3 | 169.3 | -13.8 | 0 | 0 | 111.2 | Q13 | Q11-Q13 PolarHBondContact O-N 3.2Š| ||
| 12 | L | 39.8 | Very low | 36.1 | Very low | 173 Ų | 173 | 155.7 Ų | 155.7 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -64.7 | 111.4 | 168 | -84 | 151.1 | 0 | 0 | 0 | 110.3 | ||||
| 13 | Q | 40.5 | Very low | 36.1 | Very low | 166 Ų | 166 | 154.8 Ų | 154.8 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | -157.6 | 65.7 | 166.6 | -150 | 76.8 | 68.7 | 0 | 0 | 114.5 | Q11 | Q11-Q13 PolarHBondContact O-N 3.2Š| ||
| 14 | D | 33 | Very low | 36.1 | Very low | 163 Ų | 163 | 151.1 Ų | 151.1 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | trans | -134.8 | 93.4 | 161.1 | -75.5 | -58.3 | 0 | 0 | 0 | 107.2 | ||||
| 15 | N | 41.3 | Very low | 36.2 | Very low | 132 Ų | 132 | 153.3 Ų | 153.3 | 71% | 0.706 | 83% | 0.834 | S | S | * | * | 70.6 | 77 | 71.6 | -162.3 | 2.4 | 0 | 0 | 0 | 113.5 | |||||
| 16 | F | 32.8 | Very low | 36.3 | Very low | 208 Ų | 208 | 150.7 Ų | 150.7 | 91% | 0.912 | 83% | 0.826 | S | S | * | * | trans | -146.2 | 101.8 | 156.1 | -114.7 | -81.1 | 0 | 0 | 0 | 110.2 | ||||
| 17 | S | 36.2 | Very low | 36.5 | Very low | 103 Ų | 103 | 152.8 Ų | 152.8 | 72% | 0.72 | 83% | 0.826 | S | S | * | * | trans | -88 | 151 | 168.9 | -71 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 18 | A | 36.3 | Very low | 36.9 | Very low | 82 Ų | 82 | 156.5 Ų | 156.5 | 68% | 0.678 | 83% | 0.826 | S | S | * | * | trans | -63.5 | 146.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 19 | F | 33.5 | Very low | 36.7 | Very low | 211 Ų | 211 | 149.3 Ų | 149.3 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -130.9 | 117.5 | 154.4 | -103.1 | -86.1 | 0 | 0 | 0 | 110.5 | ||||
| 20 | H | 39.9 | Very low | 36.8 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -73.1 | 156.5 | 174.6 | -90.2 | -110.6 | 0 | 0 | 0 | 111.8 | ||||
| 21 | A | 40.6 | Very low | 36.9 | Very low | 97 Ų | 97 | 147.3 Ų | 147.3 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -50.9 | 134.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 22 | R | 39.1 | Very low | 37 | Very low | 254 Ų | 254 | 146.2 Ų | 146.2 | 96% | 0.958 | 80% | 0.804 | S | S | * | * | trans | -140.4 | 110.3 | 148.4 | -78.8 | -151 | 162 | -148.5 | -8.1 | 111.7 | ||||
| 23 | G | 32.7 | Very low | 36.9 | Very low | 83 Ų | 83 | 146.8 Ų | 146.8 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -142.1 | 88.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 24 | G | 33.4 | Very low | 36.6 | Very low | 73 Ų | 73 | 149 Ų | 149 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -99.9 | 142.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 25 | L | 39.5 | Very low | 36.9 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -128.2 | 150.1 | 160.6 | -83.4 | 172.1 | 0 | 0 | 0 | 109.7 | ||||
| 26 | N | 38.7 | Very low | 36.3 | Very low | 137 Ų | 137 | 148.8 Ų | 148.8 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -65.7 | 139.6 | -162.2 | -80.4 | -76.6 | 0 | 0 | 0 | 114.9 | ||||
| 27 | I | 38.1 | Very low | 36.8 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -123.9 | 115.9 | 146.7 | -63.5 | 178.8 | 0 | 0 | 0 | 106.5 | ||||
| 28 | L | 40.9 | Very low | 36.7 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -140.1 | 133.3 | 174.7 | -95.1 | 167.3 | 0 | 0 | 0 | 108.1 | ||||
| 29 | G | 31.5 | Very low | 36.5 | Very low | 54 Ų | 54 | 145.5 Ų | 145.5 | 56% | 0.557 | 81% | 0.811 | S | S | * | * | trans | 107.3 | 88.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 30 | L | 37.5 | Very low | 36.4 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | 67.4 | 128.7 | 84.9 | -68.6 | 172 | 0 | 0 | 0 | 111.5 | |||||
| 31 | Q | 36.7 | Very low | 36.2 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | cis | -139.4 | 152.3 | 26.3 | -110.6 | 87.2 | 18.5 | 0 | 0 | 113.3 | ||||
| 32 | D | 36.2 | Very low | 35.9 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -67.4 | 147.8 | 151.7 | -65.4 | -81.1 | 0 | 0 | 0 | 111.1 | ||||
| 33 | M | 36.3 | Very low | 36 | Very low | 184 Ų | 184 | 134.1 Ų | 134.1 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | 168.1 | 137.3 | 120.3 | -89.1 | -85.2 | -83.3 | 0 | 0 | 112.6 | |||||
| 34 | Y | 33.7 | Very low | 36.1 | Very low | 212 Ų | 212 | 134.5 Ų | 134.5 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -57.8 | 165.3 | -178.9 | -155.6 | -108.7 | 0 | 0 | 0 | 115.3 | ||||
| 35 | L | 40.1 | Very low | 36.7 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 73% | 0.728 | 80% | 0.802 | S | S | * | * | trans | -54.4 | 147.5 | 169.6 | -82.9 | 64.8 | 0 | 0 | 0 | 112 | ||||
| 36 | D | 29.2 | Very low | 36.5 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | -147.6 | 156.7 | 126.8 | -143.4 | -21.7 | 0 | 0 | 0 | 112.3 | |||||
| 37 | T | 42.1 | Very low | 36.6 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | trans | -124.4 | 104.6 | -173.4 | -36.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 38 | S | 34.2 | Very low | 37.4 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -158.1 | 135.9 | 165 | 38.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 39 | G | 32.5 | Very low | 37.8 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -99.8 | 168.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 40 | A | 31.1 | Very low | 38.5 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -153.1 | 144.2 | 158 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 41 | N | 36.7 | Very low | 38.6 | Very low | 157 Ų | 157 | 136 Ų | 136 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -64.1 | 151.8 | 169 | -57.7 | -53.2 | 0 | 0 | 0 | 110.7 | ||||
| 42 | S | 33.6 | Very low | 39.4 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | -178.4 | 142.3 | 123 | -81.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 43 | S | 41.6 | Very low | 39.5 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -81.3 | 144.3 | 176.8 | -50.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 44 | A | 33.7 | Very low | 39.9 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -153.7 | 84 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 45 | T | 46.5 | Very low | 40.9 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | 21.9 | 113.1 | 102 | 156.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 46 | L | 35.3 | Very low | 40.8 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -166.8 | 96 | 146.7 | -105 | 169.3 | 0 | 0 | 0 | 110.7 | ||||
| 47 | S | 41.5 | Very low | 41.8 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -95 | 148.4 | 153.7 | -56.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 48 | P | 54.8 | Low | 41.4 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | -157.3 | -166.9 | 102.5 | 41.5 | -22.8 | 0 | 0 | 0 | 113.2 | |||||
| 49 | P | 48.8 | Very low | 41.5 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | cis | -121 | -178 | -29.7 | 17.1 | 6.2 | 0 | 0 | 0 | 113 | ||||
| 50 | I | 45.5 | Very low | 41.8 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -94.9 | 149.8 | -176.4 | -50.6 | 156 | 0 | 0 | 0 | 110.6 | ||||
| 51 | T | 40.1 | Very low | 42.5 | Very low | 143 Ų | 143 | 125.1 Ų | 125.1 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -146.2 | 141.9 | 139 | 19.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 52 | P | 53.4 | Low | 42.5 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | trans | -115.8 | 155.3 | -173.1 | 40.6 | -30.9 | 0 | 0 | 0 | 114.5 | ||||
| 53 | V | 38.7 | Very low | 43.1 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -140.2 | 150.7 | 156.4 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 54 | T | 44.4 | Very low | 43 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -79.1 | 170.7 | -158.8 | 32.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 55 | P | 55.1 | Low | 43.4 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | trans | -104 | 172.6 | -165.3 | 41.6 | -36.3 | 0 | 0 | 0 | 114.8 | ||||
| 56 | D | 37.2 | Very low | 42.9 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -164.7 | 169 | 136.7 | -112.3 | -15.3 | 0 | 0 | 0 | 111.1 | ||||
| 57 | P | 51.4 | Low | 43.6 | Very low | 103 Ų | 103 | 130 Ų | 130 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | -127.7 | -167.5 | -138.3 | 36.5 | -15.2 | 0 | 0 | 0 | 114.8 | ||||
| 58 | S | 34.2 | Very low | 43.7 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 80.1 | 131.3 | -179 | -26.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 59 | T | 36 | Very low | 43.6 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | cis | -155.5 | 171.9 | 17.9 | -43.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 60 | S | 37.8 | Very low | 43.7 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 83.1 | 108.2 | 171.3 | 76.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 61 | A | 47.1 | Very low | 44 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -75.9 | 124 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 62 | Q | 36.5 | Very low | 45 | Very low | 186 Ų | 186 | 126 Ų | 126 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | trans | -131.5 | 90.5 | 156.7 | -72.4 | -165.4 | -1.7 | 0 | 0 | 109.5 | T64 | Q62-T64 PolarHBondContact O-N 3.41Š| ||
| 63 | S | 44.7 | Very low | 45.5 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -69.8 | 116.1 | 158.6 | 51.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 64 | T | 41.2 | Very low | 46.9 | Very low | 138 Ų | 138 | 120.1 Ų | 120.1 | 85% | 0.847 | 72% | 0.717 | S | S | * | * | -177.2 | 133.8 | 122.2 | 23.6 | 0 | 0 | 0 | 0 | 113.1 | Q62 | Q62-T64 PolarHBondContact O-N 3.41Š| |||
| 65 | H | 40.6 | Very low | 48.3 | Very low | 153 Ų | 153 | 117.3 Ų | 117.3 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | trans | 68.6 | 80.4 | 141.9 | -147.8 | -64.9 | 0 | 0 | 0 | 120.6 | ||||
| 66 | F | 36.2 | Very low | 49.2 | Very low | 200 Ų | 200 | 114.2 Ų | 114.2 | 88% | 0.877 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 129.1 | 147.2 | -87.4 | -92.6 | 0 | 0 | 0 | 109.9 | F68 | F66-F68 PolarHBondContact O-N 3.45Š|
| 67 | P | 49.9 | Very low | 51.4 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 131.2 | 171.3 | -19.3 | 32.5 | 0 | 0 | 0 | 111 | L69 | P67-L69 PolarHBondContact O-N 3.44Š|
| 68 | F | 43.4 | Very low | 53.1 | Low | 162 Ų | 162 | 110 Ų | 110 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 127.6 | 177.2 | -97.2 | -109.7 | 0 | 0 | 0 | 111.3 | F66 A70 | F66-F68 PolarHBondContact O-N 3.45Å; F68-A70 HydrophobicContact CB-CB 4.42Å; F68-A70 HydrophobicContact CD1-CB 4.18Å; F68-A70 PolarHBondContact O-N 3.47Å; F68-A70 VanDerWaalsContact O-N 3.09Å |
| 69 | L | 53.5 | Low | 55.7 | Low | 158 Ų | 158 | 110 Ų | 110 | 83% | 0.827 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 8.1 | 171.9 | -71.2 | 170 | 0 | 0 | 0 | 113.8 | P67 S72 | P67-L69 PolarHBondContact O-N 3.44Å; L69-S72 PolarHBondContact O-OG 3.14Å |
| 70 | A | 50.5 | Low | 58.4 | Low | 69 Ų | 69 | 107.5 Ų | 107.5 | 57% | 0.57 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -28.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F68 S72 | F68-A70 HydrophobicContact CB-CB 4.42Å; F68-A70 HydrophobicContact CD1-CB 4.18Å; F68-A70 PolarHBondContact O-N 3.47Å; F68-A70 VanDerWaalsContact O-N 3.09Å; A70-S72 PolarHBondContact O-N 3.36Å |
| 71 | D | 51.6 | Low | 61 | Low | 108 Ų | 108 | 108.4 Ų | 108.4 | 58% | 0.578 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -15.6 | -178 | -68 | -43.2 | 0 | 0 | 0 | 113.6 | A73 A74 T75 | D71-A73 VanDerWaalsContact C-N 3.26Å; D71-A73 PolarHBondContact O-N 3.28Å; D71-A74 PolarHBondContact O-N 2.93Å; D71-T75 PolarHBondContact O-N 2.96Å; D71-T75 PolarHBondContact O-OG1 3.09Å |
| 72 | S | 62.4 | Low | 63.2 | Low | 65 Ų | 65 | 110 Ų | 110 | 46% | 0.455 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -52.1 | -39.8 | -178.5 | -43.2 | 0 | 0 | 0 | 0 | 113.2 | L69 A70 T75 A76 | L69-S72 PolarHBondContact O-OG 3.14Å; A70-S72 PolarHBondContact O-N 3.36Å; S72-T75 WeakPolarHBondContact CA-OG1 3.22Å; S72-T75 PolarHBondContact O-OG1 2.81Å; S72-A76 WeakPolarHBondContact O-CB 3.27Å; S72-A76 PolarHBondContact O-N 3.24Å |
| 73 | A | 63.2 | Low | 66 | Low | 62 Ų | 62 | 107.8 Ų | 107.8 | 51% | 0.512 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -78.3 | -34.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D71 N77 | D71-A73 VanDerWaalsContact C-N 3.26Å; D71-A73 PolarHBondContact O-N 3.28Å; A73-N77 PolarHBondContact O-N 3.26Å; A73-N77 VanDerWaalsContact O-N 3.12Å; A73-N77 PolarHBondContact O-ND2 2.81Å |
| 74 | A | 68.6 | Low | 68.4 | Low | 68 Ų | 68 | 107.8 Ų | 107.8 | 56% | 0.562 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.6 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | D71 N77 S78 | D71-A74 PolarHBondContact O-N 2.93Å; A74-N77 PolarHBondContact O-N 3.36Å; A74-S78 PolarHBondContact O-N 3.48Å; A74-S78 PolarHBondContact O-OG 3.33Å |
| 75 | T | 74.1 | Confident | 71 | Confident | 73 Ų | 73 | 108.6 Ų | 108.6 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.3 | -36.2 | 174.5 | 49.7 | 0 | 0 | 0 | 0 | 112.9 | D71 S72 S78 L79 | D71-T75 PolarHBondContact O-N 2.96Å; D71-T75 PolarHBondContact O-OG1 3.09Å; S72-T75 WeakPolarHBondContact CA-OG1 3.22Å; S72-T75 PolarHBondContact O-OG1 2.81Å; T75-S78 WeakPolarHBondContact CA-OG 3.48Å; T75-S78 PolarHBondContact O-N 3.21Å; T75-S78 PolarHBondContact O-OG 3.3Å; T75-L79 WeakPolarHBondContact O-CB 3.18Å; T75-L79 VanDerWaalsContact O-CG 3.27Å; T75-L79 WeakPolarHBondContact O-CG 3.28Å; T75-L79 PolarHBondContact O-N 3.3Å |
| 76 | A | 73.2 | Confident | 73.6 | Confident | 46 Ų | 46 | 106.9 Ų | 106.9 | 38% | 0.38 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64 | -40.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S72 L80 | S72-A76 WeakPolarHBondContact O-CB 3.27Å; S72-A76 PolarHBondContact O-N 3.24Å; A76-L80 WeakPolarHBondContact O-CB 3.15Å; A76-L80 WeakPolarHBondContact O-CG 3.39Å; A76-L80 PolarHBondContact O-N 3.42Å |
| 77 | N | 83.6 | Confident | 76.5 | Confident | 104 Ų | 104 | 104.1 Ų | 104.1 | 56% | 0.556 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.2 | -39.5 | 176.2 | -84.8 | -71.6 | 0 | 0 | 0 | 112.8 | A73 A74 L80 M81 | A73-N77 PolarHBondContact O-N 3.26Å; A73-N77 VanDerWaalsContact O-N 3.12Å; A73-N77 PolarHBondContact O-ND2 2.81Å; A74-N77 PolarHBondContact O-N 3.36Å; N77-L80 PolarHBondContact O-N 3.38Å; N77-M81 PolarHBondContact O-N 3.14Å |
| 78 | S | 87 | Confident | 78.7 | Confident | 68 Ų | 68 | 105 Ų | 105 | 48% | 0.476 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67 | -39.8 | 176.3 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | A74 T75 M81 Q82 | A74-S78 PolarHBondContact O-N 3.48Å; A74-S78 PolarHBondContact O-OG 3.33Å; T75-S78 WeakPolarHBondContact CA-OG 3.48Å; T75-S78 PolarHBondContact O-N 3.21Å; T75-S78 PolarHBondContact O-OG 3.3Å; S78-M81 PolarHBondContact O-N 3.47Å; S78-Q82 WeakPolarHBondContact O-CB 3.36Å; S78-Q82 PolarHBondContact O-N 3.27Å |
| 79 | L | 89.6 | Confident | 81.3 | Confident | 109 Ų | 109 | 100.9 Ų | 100.9 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.8 | -38.4 | 172.4 | -71.9 | 170.2 | 0 | 0 | 0 | 112.5 | T75 Q82 R83 | T75-L79 WeakPolarHBondContact O-CB 3.18Å; T75-L79 VanDerWaalsContact O-CG 3.27Å; T75-L79 WeakPolarHBondContact O-CG 3.28Å; T75-L79 PolarHBondContact O-N 3.3Å; L79-Q82 PolarHBondContact O-N 3.35Å; L79-R83 WeakPolarHBondContact O-CB 3.09Å; L79-R83 PolarHBondContact O-N 2.93Å |
| 80 | L | 91.3 | Very high | 83.4 | Confident | 77 Ų | 77 | 97.9 Ų | 97.9 | 40% | 0.403 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -47 | 174.2 | -84.9 | 164.6 | 0 | 0 | 0 | 112.1 | A76 N77 R83 Q84 | A76-L80 WeakPolarHBondContact O-CB 3.15Å; A76-L80 WeakPolarHBondContact O-CG 3.39Å; A76-L80 PolarHBondContact O-N 3.42Å; N77-L80 PolarHBondContact O-N 3.38Å; L80-R83 VanDerWaalsContact CD2-NH1 3.35Å; L80-R83 PolarHBondContact O-N 3.01Å; L80-Q84 WeakPolarHBondContact O-CG 3.45Å; L80-Q84 PolarHBondContact O-N 3.47Å |
| 81 | M | 92.3 | Very high | 85.6 | Confident | 122 Ų | 122 | 99.5 Ų | 99.5 | 60% | 0.601 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -45.1 | 174.1 | -85.7 | -68.7 | 125 | 0 | 0 | 111.9 | N77 S78 R83 Q84 Y85 | N77-M81 PolarHBondContact O-N 3.14Å; S78-M81 PolarHBondContact O-N 3.47Å; M81-R83 VanDerWaalsContact C-N 3.32Å; M81-R83 PolarHBondContact O-N 3.19Å; M81-Q84 PolarHBondContact O-N 3.46Å; M81-Y85 WeakPolarHBondContact O-CB 3.31Å; M81-Y85 PolarHBondContact O-N 3.21Å |
| 82 | Q | 93.5 | Very high | 87.8 | Confident | 132 Ų | 132 | 99.2 Ų | 99.2 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.7 | -39.9 | 177.8 | -169.5 | 177.2 | 9.9 | 0 | 0 | 111.7 | S78 L79 Y85 H86 | S78-Q82 WeakPolarHBondContact O-CB 3.36Å; S78-Q82 PolarHBondContact O-N 3.27Å; L79-Q82 PolarHBondContact O-N 3.35Å; Q82-Y85 PolarHBondContact O-N 2.95Å; Q82-H86 WeakPolarHBondContact O-CB 3.27Å; Q82-H86 PolarHBondContact O-N 3.01Å |
| 83 | R | 95.1 | Very high | 89.4 | Confident | 140 Ų | 140 | 102.1 Ų | 102.1 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 175.1 | -159 | -167.6 | 85 | -129.7 | 3.9 | 112 | L79 L80 M81 H86 Y87 | L79-R83 WeakPolarHBondContact O-CB 3.09Å; L79-R83 PolarHBondContact O-N 2.93Å; L80-R83 VanDerWaalsContact CD2-NH1 3.35Å; L80-R83 PolarHBondContact O-N 3.01Å; M81-R83 VanDerWaalsContact C-N 3.32Å; M81-R83 PolarHBondContact O-N 3.19Å; R83-H86 PolarHBondContact O-N 3.1Å; R83-Y87 PolarHBondContact O-N 3.47Å |
| 84 | Q | 94.9 | Very high | 90.9 | Very high | 106 Ų | 106 | 105.7 Ų | 105.7 | 50% | 0.495 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 177.1 | -75.5 | -177.2 | -22.3 | 0 | 0 | 111.9 | L80 M81 H86 Y87 H88 | L80-Q84 WeakPolarHBondContact O-CG 3.45Å; L80-Q84 PolarHBondContact O-N 3.47Å; M81-Q84 PolarHBondContact O-N 3.46Å; Q84-H86 PolarHBondContact O-N 3.04Å; Q84-Y87 WeakPolarHBondContact O-CB 3.18Å; Q84-Y87 PolarHBondContact O-N 3.21Å; Q84-H88 PolarHBondContact O-N 3.02Å |
| 85 | Y | 96.3 | Very high | 92.2 | Very high | 155 Ų | 155 | 109 Ų | 109 | 61% | 0.608 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.9 | -45.3 | 174.2 | 179.1 | -98.3 | 0 | 0 | 0 | 111.9 | M81 Q82 Y87 H88 L89 | M81-Y85 WeakPolarHBondContact O-CB 3.31Å; M81-Y85 PolarHBondContact O-N 3.21Å; Q82-Y85 PolarHBondContact O-N 2.95Å; Y85-Y87 PolarHBondContact O-N 2.73Å; Y85-H88 PolarHBondContact O-N 3.29Å; Y85-L89 HydrophobicContact CD1-CD1 4.2Å; Y85-L89 HydrophobicContact CD2-CD1 4.35Å; Y85-L89 HydrophobicContact CE1-CD1 3.66Å; Y85-L89 HydrophobicContact CE1-CD2 4.19Å; Y85-L89 HydrophobicContact CE2-CD1 3.84Å; Y85-L89 VanDerWaalsContact CZ-CD1 3.46Å; Y85-L89 PolarHBondContact O-N 3.03Å |
| 86 | H | 96 | Very high | 93.3 | Very high | 116 Ų | 116 | 110.8 Ų | 110.8 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 177.3 | -169.3 | 74.9 | 0 | 0 | 0 | 112.3 | Q82 R83 Q84 H88 L89 L90 | Q82-H86 WeakPolarHBondContact O-CB 3.27Å; Q82-H86 PolarHBondContact O-N 3.01Å; R83-H86 PolarHBondContact O-N 3.1Å; Q84-H86 PolarHBondContact O-N 3.04Å; H86-H88 VanDerWaalsContact C-N 3.32Å; H86-H88 PolarHBondContact O-N 3.28Å; H86-L89 PolarHBondContact O-N 3Å; H86-L90 PolarHBondContact O-N 2.78Å |
| 87 | Y | 96.8 | Very high | 94.4 | Very high | 142 Ų | 142 | 113.5 Ų | 113.5 | 56% | 0.557 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59 | -41.5 | 173 | -110.3 | -87 | 0 | 0 | 0 | 112.6 | R83 Q84 Y85 L90 L91 | R83-Y87 PolarHBondContact O-N 3.47Å; Q84-Y87 WeakPolarHBondContact O-CB 3.18Å; Q84-Y87 PolarHBondContact O-N 3.21Å; Y85-Y87 PolarHBondContact O-N 2.73Å; Y87-L90 WeakPolarHBondContact O-CB 3.43Å; Y87-L90 PolarHBondContact O-N 3.15Å; Y87-L91 PolarHBondContact O-N 2.63Å |
| 88 | H | 96.5 | Very high | 95 | Very high | 123 Ų | 123 | 111.2 Ų | 111.2 | 57% | 0.569 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.7 | -38.7 | 179.6 | -165.2 | -112.5 | 0 | 0 | 0 | 112.2 | Q84 Y85 H86 L91 Q92 | Q84-H88 PolarHBondContact O-N 3.02Å; Y85-H88 PolarHBondContact O-N 3.29Å; H86-H88 VanDerWaalsContact C-N 3.32Å; H86-H88 PolarHBondContact O-N 3.28Å; H88-L91 PolarHBondContact O-N 3.37Å; H88-Q92 WeakPolarHBondContact O-CB 3.42Å; H88-Q92 PolarHBondContact O-N 2.96Å |
| 89 | L | 97.5 | Very high | 95.3 | Very high | 75 Ų | 75 | 113.4 Ų | 113.4 | 39% | 0.393 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 170.5 | -101.7 | 70.3 | 0 | 0 | 0 | 112.2 | Y85 H86 Q92 Q93 | Y85-L89 HydrophobicContact CD1-CD1 4.2Å; Y85-L89 HydrophobicContact CD2-CD1 4.35Å; Y85-L89 HydrophobicContact CE1-CD1 3.66Å; Y85-L89 HydrophobicContact CE1-CD2 4.19Å; Y85-L89 HydrophobicContact CE2-CD1 3.84Å; Y85-L89 VanDerWaalsContact CZ-CD1 3.46Å; Y85-L89 PolarHBondContact O-N 3.03Å; H86-L89 PolarHBondContact O-N 3Å; L89-Q92 PolarHBondContact O-N 3.46Å; L89-Q93 PolarHBondContact O-N 2.97Å |
| 90 | L | 97.6 | Very high | 95.6 | Very high | 96 Ų | 96 | 110.6 Ų | 110.6 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 179.9 | -139.1 | 80.3 | 0 | 0 | 0 | 111.7 | H86 Y87 Q93 Q94 | H86-L90 PolarHBondContact O-N 2.78Å; Y87-L90 WeakPolarHBondContact O-CB 3.43Å; Y87-L90 PolarHBondContact O-N 3.15Å; L90-Q93 PolarHBondContact O-N 2.83Å; L90-Q94 WeakPolarHBondContact O-CB 3.2Å; L90-Q94 PolarHBondContact O-N 2.84Å |
| 91 | L | 97.1 | Very high | 95.7 | Very high | 103 Ų | 103 | 113 Ų | 113 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 173.8 | -95.9 | 142.2 | 0 | 0 | 0 | 112.2 | Y87 H88 Q94 Q95 | Y87-L91 PolarHBondContact O-N 2.63Å; H88-L91 PolarHBondContact O-N 3.37Å; L91-Q94 PolarHBondContact O-N 3.2Å; L91-Q95 PolarHBondContact O-N 3.12Å |
| 92 | Q | 96.6 | Very high | 95.8 | Very high | 101 Ų | 101 | 113 Ų | 113 | 47% | 0.472 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 177.2 | -174.3 | 176.5 | 102 | 0 | 0 | 111.9 | H88 L89 Q95 Q96 | H88-Q92 WeakPolarHBondContact O-CB 3.42Å; H88-Q92 PolarHBondContact O-N 2.96Å; L89-Q92 PolarHBondContact O-N 3.46Å; Q92-Q95 PolarHBondContact O-N 2.96Å; Q92-Q96 WeakPolarHBondContact O-CG 3.42Å; Q92-Q96 PolarHBondContact O-N 3.47Å |
| 93 | Q | 96.2 | Very high | 95.9 | Very high | 127 Ų | 127 | 113.1 Ų | 113.1 | 59% | 0.593 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | 175.7 | -173.1 | -166.3 | 102.2 | 0 | 0 | 111.5 | L89 L90 Q95 Q96 L97 | L89-Q93 PolarHBondContact O-N 2.97Å; L90-Q93 PolarHBondContact O-N 2.83Å; Q93-Q95 VanDerWaalsContact C-N 3.32Å; Q93-Q95 PolarHBondContact O-N 3.19Å; Q93-Q96 PolarHBondContact O-N 3Å; Q93-L97 PolarHBondContact O-N 3.44Å |
| 94 | Q | 96 | Very high | 95.8 | Very high | 137 Ų | 137 | 112.2 Ų | 112.2 | 64% | 0.64 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.4 | -41.9 | 178.1 | -173.6 | -175.8 | 91 | 0 | 0 | 111.7 | L90 L91 L97 A98 | L90-Q94 WeakPolarHBondContact O-CB 3.2Å; L90-Q94 PolarHBondContact O-N 2.84Å; L91-Q94 PolarHBondContact O-N 3.2Å; Q94-L97 PolarHBondContact O-N 3.32Å; Q94-A98 WeakPolarHBondContact O-CB 3.2Å; Q94-A98 PolarHBondContact O-N 3.16Å |
| 95 | Q | 95.9 | Very high | 95.7 | Very high | 137 Ų | 137 | 109.7 Ų | 109.7 | 64% | 0.64 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65 | -40.9 | 177.4 | -174.3 | 174.9 | 86.2 | 0 | 0 | 112.4 | L91 Q92 Q93 A98 M99 | L91-Q95 PolarHBondContact O-N 3.12Å; Q92-Q95 PolarHBondContact O-N 2.96Å; Q93-Q95 VanDerWaalsContact C-N 3.32Å; Q93-Q95 PolarHBondContact O-N 3.19Å; Q95-A98 PolarHBondContact O-N 2.77Å; Q95-M99 PolarHBondContact O-N 3.46Å |
| 96 | Q | 95.4 | Very high | 95.5 | Very high | 111 Ų | 111 | 107.5 Ų | 107.5 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 173.6 | -71.1 | 172.8 | 10.3 | 0 | 0 | 111.6 | Q92 Q93 M99 A100 | Q92-Q96 WeakPolarHBondContact O-CG 3.42Å; Q92-Q96 PolarHBondContact O-N 3.47Å; Q93-Q96 PolarHBondContact O-N 3Å; Q96-M99 PolarHBondContact O-N 2.94Å; Q96-A100 WeakPolarHBondContact O-CB 3.27Å; Q96-A100 PolarHBondContact O-N 2.85Å |
| 97 | L | 96.2 | Very high | 95.2 | Very high | 103 Ų | 103 | 104.7 Ų | 104.7 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 178.4 | -163.4 | 71.4 | 0 | 0 | 0 | 111.8 | Q93 Q94 A100 Q101 | Q93-L97 PolarHBondContact O-N 3.44Å; Q94-L97 PolarHBondContact O-N 3.32Å; L97-A100 PolarHBondContact O-N 2.85Å; L97-Q101 WeakPolarHBondContact O-CB 3.5Å; L97-Q101 WeakPolarHBondContact O-CG 3.39Å; L97-Q101 PolarHBondContact O-N 2.94Å |
| 98 | A | 96.3 | Very high | 94.7 | Very high | 55 Ų | 55 | 100.7 Ų | 100.7 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q94 Q95 Q101 H102 | Q94-A98 WeakPolarHBondContact O-CB 3.2Å; Q94-A98 PolarHBondContact O-N 3.16Å; Q95-A98 PolarHBondContact O-N 2.77Å; A98-Q101 PolarHBondContact O-N 2.73Å; A98-H102 PolarHBondContact O-N 3.49Å |
| 99 | M | 95.2 | Very high | 94.2 | Very high | 114 Ų | 114 | 98.7 Ų | 98.7 | 56% | 0.562 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.8 | -41.1 | 174.2 | -72.7 | -152.5 | -63.7 | 0 | 0 | 112.5 | Q95 Q96 H102 Q103 | Q95-M99 PolarHBondContact O-N 3.46Å; Q96-M99 PolarHBondContact O-N 2.94Å; M99-H102 PolarHBondContact O-N 3.01Å; M99-Q103 WeakPolarHBondContact O-CG 3.43Å; M99-Q103 PolarHBondContact O-N 2.65Å |
| 100 | A | 94.7 | Very high | 93.5 | Very high | 51 Ų | 51 | 98 Ų | 98 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q96 L97 Q103 L104 | Q96-A100 WeakPolarHBondContact O-CB 3.27Å; Q96-A100 PolarHBondContact O-N 2.85Å; L97-A100 PolarHBondContact O-N 2.85Å; A100-Q103 PolarHBondContact O-N 2.76Å; A100-L104 WeakPolarHBondContact O-CB 3.41Å; A100-L104 PolarHBondContact O-N 3.16Å |
| 101 | Q | 93.8 | Very high | 92.6 | Very high | 126 Ų | 126 | 96 Ų | 96 | 59% | 0.589 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.8 | -39.6 | 174.4 | -75.1 | -178.5 | -17 | 0 | 0 | 112.3 | L97 A98 L104 A105 | L97-Q101 WeakPolarHBondContact O-CB 3.5Å; L97-Q101 WeakPolarHBondContact O-CG 3.39Å; L97-Q101 PolarHBondContact O-N 2.94Å; A98-Q101 PolarHBondContact O-N 2.73Å; Q101-L104 PolarHBondContact O-N 2.85Å; Q101-A105 WeakPolarHBondContact O-CB 3.18Å; Q101-A105 PolarHBondContact O-N 3.29Å |
| 102 | H | 95.1 | Very high | 91.5 | Very high | 124 Ų | 124 | 94.1 Ų | 94.1 | 57% | 0.574 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.4 | -44.1 | 175.6 | -176.8 | 71.6 | 0 | 0 | 0 | 112.2 | A98 M99 L104 A105 L106 | A98-H102 PolarHBondContact O-N 3.49Å; M99-H102 PolarHBondContact O-N 3.01Å; H102-L104 PolarHBondContact O-N 3.49Å; H102-A105 PolarHBondContact O-N 3.34Å; H102-L106 PolarHBondContact O-N 3.34Å |
| 103 | Q | 95.1 | Very high | 90.4 | Very high | 133 Ų | 133 | 92 Ų | 92 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 174.7 | -69.8 | 176.2 | 29.5 | 0 | 0 | 112 | M99 A100 L106 A107 | M99-Q103 WeakPolarHBondContact O-CG 3.43Å; M99-Q103 PolarHBondContact O-N 2.65Å; A100-Q103 PolarHBondContact O-N 2.76Å; Q103-L106 PolarHBondContact O-N 2.87Å; Q103-A107 WeakPolarHBondContact O-CB 3.41Å; Q103-A107 PolarHBondContact O-N 3.38Å |
| 104 | L | 92.4 | Very high | 89.1 | Confident | 121 Ų | 121 | 89.3 Ų | 89.3 | 63% | 0.634 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -40.4 | 175.9 | -175.3 | 63.6 | 0 | 0 | 0 | 111.9 | A100 Q101 H102 A107 A108 | A100-L104 WeakPolarHBondContact O-CB 3.41Å; A100-L104 PolarHBondContact O-N 3.16Å; Q101-L104 PolarHBondContact O-N 2.85Å; H102-L104 PolarHBondContact O-N 3.49Å; L104-A107 PolarHBondContact O-N 3Å; L104-A108 VanDerWaalsContact O-CB 3.29Å; L104-A108 WeakPolarHBondContact O-CB 3.46Å; L104-A108 PolarHBondContact O-N 2.96Å |
| 105 | A | 93.1 | Very high | 87.7 | Confident | 53 Ų | 53 | 85.3 Ų | 85.3 | 44% | 0.438 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q101 H102 S109 | Q101-A105 WeakPolarHBondContact O-CB 3.18Å; Q101-A105 PolarHBondContact O-N 3.29Å; H102-A105 PolarHBondContact O-N 3.34Å; A105-S109 WeakPolarHBondContact O-CB 3.22Å; A105-S109 PolarHBondContact O-N 3.08Å; A105-S109 PolarHBondContact O-OG 3.42Å |
| 106 | L | 92.6 | Very high | 86.2 | Confident | 109 Ų | 109 | 82.3 Ų | 82.3 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.3 | -47.3 | 173.1 | -123.6 | 76.5 | 0 | 0 | 0 | 111.5 | H102 Q103 S109 A110 | H102-L106 PolarHBondContact O-N 3.34Å; Q103-L106 PolarHBondContact O-N 2.87Å; L106-S109 PolarHBondContact O-N 3.42Å; L106-A110 PolarHBondContact O-N 3.3Å |
| 107 | A | 88.8 | Confident | 84.6 | Confident | 58 Ų | 58 | 83.2 Ų | 83.2 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q103 L104 S109 A110 A111 | Q103-A107 WeakPolarHBondContact O-CB 3.41Å; Q103-A107 PolarHBondContact O-N 3.38Å; L104-A107 PolarHBondContact O-N 3Å; A107-S109 VanDerWaalsContact C-N 3.35Å; A107-A110 PolarHBondContact O-N 3.3Å; A107-A111 WeakPolarHBondContact O-CB 3.47Å; A107-A111 PolarHBondContact O-N 2.87Å |
| 108 | A | 87.5 | Confident | 83.1 | Confident | 58 Ų | 58 | 83.8 Ų | 83.8 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L104 A111 A112 | L104-A108 VanDerWaalsContact O-CB 3.29Å; L104-A108 WeakPolarHBondContact O-CB 3.46Å; L104-A108 PolarHBondContact O-N 2.96Å; A108-A111 PolarHBondContact O-N 3.23Å; A108-A112 WeakPolarHBondContact O-CB 3.37Å; A108-A112 PolarHBondContact O-N 3.23Å |
| 109 | S | 85.5 | Confident | 81.8 | Confident | 80 Ų | 80 | 87.4 Ų | 87.4 | 56% | 0.559 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.1 | -41.9 | 176.1 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | A105 L106 A107 A112 A113 | A105-S109 WeakPolarHBondContact O-CB 3.22Å; A105-S109 PolarHBondContact O-N 3.08Å; A105-S109 PolarHBondContact O-OG 3.42Å; L106-S109 PolarHBondContact O-N 3.42Å; A107-S109 VanDerWaalsContact C-N 3.35Å; S109-A112 PolarHBondContact O-N 3.37Å; S109-A113 PolarHBondContact O-N 2.79Å |
| 110 | A | 81.6 | Confident | 80.6 | Confident | 62 Ų | 62 | 85.7 Ų | 85.7 | 51% | 0.512 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | L106 A107 A113 S114 | L106-A110 PolarHBondContact O-N 3.3Å; A107-A110 PolarHBondContact O-N 3.3Å; A110-A113 PolarHBondContact O-N 3.09Å; A110-S114 PolarHBondContact O-N 3.28Å; A110-S114 PolarHBondContact O-OG 3.41Å |
| 111 | A | 79.5 | Confident | 79.6 | Confident | 54 Ų | 54 | 88.2 Ų | 88.2 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A107 A108 S114 A115 | A107-A111 WeakPolarHBondContact O-CB 3.47Å; A107-A111 PolarHBondContact O-N 2.87Å; A108-A111 PolarHBondContact O-N 3.23Å; A111-S114 WeakPolarHBondContact CA-OG 3.36Å; A111-S114 PolarHBondContact O-N 3.36Å; A111-S114 PolarHBondContact O-OG 3.05Å; A111-A115 WeakPolarHBondContact O-CB 3.26Å; A111-A115 PolarHBondContact O-N 2.67Å |
| 112 | A | 74.8 | Confident | 79.1 | Confident | 62 Ų | 62 | 87.3 Ų | 87.3 | 51% | 0.512 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A108 S109 A115 S116 | A108-A112 WeakPolarHBondContact O-CB 3.37Å; A108-A112 PolarHBondContact O-N 3.23Å; S109-A112 PolarHBondContact O-N 3.37Å; A112-A115 PolarHBondContact O-N 3.21Å; A112-S116 PolarHBondContact O-N 3.3Å |
| 113 | A | 72.1 | Confident | 78.5 | Confident | 56 Ų | 56 | 85.6 Ų | 85.6 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S109 A110 S116 H117 | S109-A113 PolarHBondContact O-N 2.79Å; A110-A113 PolarHBondContact O-N 3.09Å; A113-S116 PolarHBondContact O-N 2.94Å; A113-H117 PolarHBondContact O-CD2 2.99Å; A113-H117 PolarHBondContact O-N 3.48Å |
| 114 | S | 69.9 | Low | 77.9 | Confident | 71 Ų | 71 | 82 Ų | 82 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 175.6 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | A110 A111 H117 Q118 | A110-S114 PolarHBondContact O-N 3.28Å; A110-S114 PolarHBondContact O-OG 3.41Å; A111-S114 WeakPolarHBondContact CA-OG 3.36Å; A111-S114 PolarHBondContact O-N 3.36Å; A111-S114 PolarHBondContact O-OG 3.05Å; S114-H117 PolarHBondContact O-N 3.4Å; S114-Q118 WeakPolarHBondContact O-CB 3.39Å; S114-Q118 PolarHBondContact O-N 3.33Å |
| 115 | A | 65.4 | Low | 77.5 | Confident | 53 Ų | 53 | 84.7 Ų | 84.7 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | A111 A112 Q118 Q119 | A111-A115 WeakPolarHBondContact O-CB 3.26Å; A111-A115 PolarHBondContact O-N 2.67Å; A112-A115 PolarHBondContact O-N 3.21Å; A115-Q118 PolarHBondContact O-N 3.44Å; A115-Q119 WeakPolarHBondContact O-CB 3.42Å; A115-Q119 PolarHBondContact O-N 3.38Å |
| 116 | S | 64.8 | Low | 77.4 | Confident | 75 Ų | 75 | 85.3 Ų | 85.3 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 175.5 | -171.9 | 0 | 0 | 0 | 0 | 112 | A112 A113 Q119 T120 | A112-S116 PolarHBondContact O-N 3.3Å; A113-S116 PolarHBondContact O-N 2.94Å; S116-Q119 PolarHBondContact O-N 2.86Å; S116-T120 PolarHBondContact O-N 2.8Å; S116-T120 VanDerWaalsContact O-N 3.15Å; S116-T120 PolarHBondContact O-OG1 3.34Å |
| 117 | H | 62.5 | Low | 77.1 | Confident | 130 Ų | 130 | 85.2 Ų | 85.2 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -47.1 | 175.5 | -86.8 | -68.4 | 0 | 0 | 0 | 112.3 | A113 S114 Q119 T120 D121 | A113-H117 PolarHBondContact O-CD2 2.99Å; A113-H117 PolarHBondContact O-N 3.48Å; S114-H117 PolarHBondContact O-N 3.4Å; H117-Q119 VanDerWaalsContact C-N 3.31Å; H117-Q119 PolarHBondContact O-N 2.76Å; H117-T120 PolarHBondContact O-N 2.85Å; H117-T120 VanDerWaalsContact O-N 3.15Å; H117-T120 PolarHBondContact O-OG1 3.43Å; H117-D121 PolarHBondContact O-N 2.97Å |
| 118 | Q | 65.3 | Low | 77 | Confident | 115 Ų | 115 | 89.1 Ų | 89.1 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 178.7 | -175 | 178.1 | -13.4 | 0 | 0 | 111.9 | S114 A115 T120 D121 E122 | S114-Q118 WeakPolarHBondContact O-CB 3.39Å; S114-Q118 PolarHBondContact O-N 3.33Å; A115-Q118 PolarHBondContact O-N 3.44Å; Q118-T120 PolarHBondContact O-N 2.89Å; Q118-D121 PolarHBondContact O-N 3Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.43Å; Q118-E122 PolarHBondContact NE2-OE1 3.05Å; Q118-E122 WeakPolarHBondContact O-CG 3.16Å; Q118-E122 PolarHBondContact O-N 2.71Å |
| 119 | Q | 68.3 | Low | 76.8 | Confident | 131 Ų | 131 | 90.7 Ų | 90.7 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63 | -40.5 | 177.2 | -171.6 | 176.6 | 3.5 | 0 | 0 | 112 | A115 S116 H117 I123 | A115-Q119 WeakPolarHBondContact O-CB 3.42Å; A115-Q119 PolarHBondContact O-N 3.38Å; S116-Q119 PolarHBondContact O-N 2.86Å; H117-Q119 VanDerWaalsContact C-N 3.31Å; H117-Q119 PolarHBondContact O-N 2.76Å; Q119-I123 HydrophobicContact CG-CD1 4.17Å; Q119-I123 WeakPolarHBondContact O-CD1 3.25Å; Q119-I123 VanDerWaalsContact O-CG1 3.3Å; Q119-I123 WeakPolarHBondContact O-CG1 3.43Å; Q119-I123 PolarHBondContact O-N 3.46Å; Q119-I123 VanDerWaalsContact O-N 3.13Å |
| 120 | T | 70.2 | Confident | 76.9 | Confident | 77 Ų | 77 | 93.8 Ų | 93.8 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -36.9 | 175.4 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | S116 H117 Q118 I123 A124 | S116-T120 PolarHBondContact O-N 2.8Å; S116-T120 VanDerWaalsContact O-N 3.15Å; S116-T120 PolarHBondContact O-OG1 3.34Å; H117-T120 PolarHBondContact O-N 2.85Å; H117-T120 VanDerWaalsContact O-N 3.15Å; H117-T120 PolarHBondContact O-OG1 3.43Å; Q118-T120 PolarHBondContact O-N 2.89Å; T120-I123 PolarHBondContact O-N 3.44Å; T120-A124 WeakPolarHBondContact O-CB 3.41Å; T120-A124 PolarHBondContact O-N 3.5Å |
| 121 | D | 74.4 | Confident | 76.9 | Confident | 104 Ų | 104 | 93.1 Ų | 93.1 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71 | -34.8 | 178.4 | -73.5 | -25.5 | 0 | 0 | 0 | 112.5 | H117 Q118 R125 | H117-D121 PolarHBondContact O-N 2.97Å; Q118-D121 PolarHBondContact O-N 3Å; D121-R125 WeakPolarHBondContact O-CB 3.47Å; D121-R125 PolarHBondContact O-N 3.03Å |
| 122 | E | 82.7 | Confident | 76.9 | Confident | 107 Ų | 107 | 96.1 Ų | 96.1 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.4 | -37.7 | 174.9 | -73.5 | 178.2 | -165.6 | 0 | 0 | 112.1 | Q118 R125 S126 | Q118-E122 WeakPolarHBondContact CG-OE1 3.43Å; Q118-E122 PolarHBondContact NE2-OE1 3.05Å; Q118-E122 WeakPolarHBondContact O-CG 3.16Å; Q118-E122 PolarHBondContact O-N 2.71Å; E122-R125 PolarHBondContact O-N 2.98Å; E122-S126 WeakPolarHBondContact O-CB 3.49Å; E122-S126 PolarHBondContact O-N 3.01Å; E122-S126 PolarHBondContact O-OG 2.92Å |
| 123 | I | 81.5 | Confident | 77 | Confident | 88 Ų | 88 | 98.1 Ų | 98.1 | 45% | 0.451 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 171.6 | -66.3 | 165.5 | 0 | 0 | 0 | 110.3 | Q119 T120 R125 S126 L127 | Q119-I123 HydrophobicContact CG-CD1 4.17Å; Q119-I123 WeakPolarHBondContact O-CD1 3.25Å; Q119-I123 VanDerWaalsContact O-CG1 3.3Å; Q119-I123 WeakPolarHBondContact O-CG1 3.43Å; Q119-I123 PolarHBondContact O-N 3.46Å; Q119-I123 VanDerWaalsContact O-N 3.13Å; T120-I123 PolarHBondContact O-N 3.44Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 3Å; I123-S126 WeakPolarHBondContact CA-OG 3.33Å; I123-S126 PolarHBondContact O-N 3.22Å; I123-S126 PolarHBondContact O-OG 3.31Å; I123-L127 HydrophobicContact CG2-CD1 3.89Å; I123-L127 HydrophobicContact CG2-CG 4.45Å; I123-L127 WeakPolarHBondContact O-CB 3.49Å; I123-L127 VanDerWaalsContact O-CG 3.28Å; I123-L127 WeakPolarHBondContact O-CG 3.47Å; I123-L127 PolarHBondContact O-N 2.97Å |
| 124 | A | 83.5 | Confident | 76.9 | Confident | 57 Ų | 57 | 99.3 Ų | 99.3 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T120 K128 | T120-A124 WeakPolarHBondContact O-CB 3.41Å; T120-A124 PolarHBondContact O-N 3.5Å; A124-K128 VanDerWaalsContact O-CB 3.31Å; A124-K128 WeakPolarHBondContact O-CB 3.42Å; A124-K128 PolarHBondContact O-N 3.43Å |
| 125 | R | 84.8 | Confident | 76.7 | Confident | 179 Ų | 179 | 100 Ų | 100 | 68% | 0.675 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.6 | -46.1 | 176.7 | -175.5 | -175.2 | -65.9 | -152.8 | 1 | 112 | D121 E122 I123 K128 I129 | D121-R125 WeakPolarHBondContact O-CB 3.47Å; D121-R125 PolarHBondContact O-N 3.03Å; E122-R125 PolarHBondContact O-N 2.98Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 3Å; R125-K128 PolarHBondContact O-N 2.93Å; R125-I129 HydrophobicContact CG-CD1 4.03Å; R125-I129 WeakPolarHBondContact O-CG1 3.47Å; R125-I129 PolarHBondContact O-N 3.28Å |
| 126 | S | 89 | Confident | 76.2 | Confident | 66 Ų | 66 | 98.8 Ų | 98.8 | 46% | 0.462 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 179.2 | 51.9 | 0 | 0 | 0 | 0 | 112 | E122 I123 K128 I129 F130 | E122-S126 WeakPolarHBondContact O-CB 3.49Å; E122-S126 PolarHBondContact O-N 3.01Å; E122-S126 PolarHBondContact O-OG 2.92Å; I123-S126 WeakPolarHBondContact CA-OG 3.33Å; I123-S126 PolarHBondContact O-N 3.22Å; I123-S126 PolarHBondContact O-OG 3.31Å; S126-K128 VanDerWaalsContact C-N 3.34Å; S126-K128 PolarHBondContact O-N 2.89Å; S126-I129 PolarHBondContact O-N 3.29Å; S126-F130 WeakPolarHBondContact O-CB 3.45Å; S126-F130 PolarHBondContact O-N 2.99Å |
| 127 | L | 88.1 | Confident | 75.5 | Confident | 107 Ų | 107 | 98.8 Ų | 98.8 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61 | -39.9 | 171.4 | -71.8 | 171.3 | 0 | 0 | 0 | 112.4 | I123 F130 A131 | I123-L127 HydrophobicContact CG2-CD1 3.89Å; I123-L127 HydrophobicContact CG2-CG 4.45Å; I123-L127 WeakPolarHBondContact O-CB 3.49Å; I123-L127 VanDerWaalsContact O-CG 3.28Å; I123-L127 WeakPolarHBondContact O-CG 3.47Å; I123-L127 PolarHBondContact O-N 2.97Å; L127-F130 PolarHBondContact O-N 3.3Å; L127-A131 WeakPolarHBondContact O-CB 3.21Å; L127-A131 PolarHBondContact O-N 3.37Å |
| 128 | K | 85.4 | Confident | 74.9 | Confident | 140 Ų | 140 | 96.7 Ų | 96.7 | 61% | 0.609 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.7 | -43.4 | 176 | -176.6 | 176.1 | -179.6 | 178.1 | 0 | 112.5 | A124 R125 S126 A131 Q132 | A124-K128 VanDerWaalsContact O-CB 3.31Å; A124-K128 WeakPolarHBondContact O-CB 3.42Å; A124-K128 PolarHBondContact O-N 3.43Å; R125-K128 PolarHBondContact O-N 2.93Å; S126-K128 VanDerWaalsContact C-N 3.34Å; S126-K128 PolarHBondContact O-N 2.89Å; K128-A131 PolarHBondContact O-N 3.05Å; K128-Q132 WeakPolarHBondContact O-CG 3.38Å; K128-Q132 PolarHBondContact O-N 3Å |
| 129 | I | 84.9 | Confident | 74.3 | Confident | 90 Ų | 90 | 98.1 Ų | 98.1 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65 | -45 | 175.9 | -67.6 | 165.2 | 0 | 0 | 0 | 110.2 | R125 S126 A131 Q132 V133 | R125-I129 HydrophobicContact CG-CD1 4.03Å; R125-I129 WeakPolarHBondContact O-CG1 3.47Å; R125-I129 PolarHBondContact O-N 3.28Å; S126-I129 PolarHBondContact O-N 3.29Å; I129-A131 VanDerWaalsContact C-N 3.33Å; I129-A131 PolarHBondContact O-N 3.23Å; I129-Q132 PolarHBondContact O-N 3.02Å; I129-V133 HydrophobicContact CG2-CG2 4.42Å; I129-V133 WeakPolarHBondContact O-CG2 3.48Å; I129-V133 PolarHBondContact O-N 3.45Å |
| 130 | F | 86.3 | Confident | 73.5 | Confident | 145 Ų | 145 | 98.1 Ų | 98.1 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.9 | -43.1 | 176.3 | 179.3 | -97.1 | 0 | 0 | 0 | 112.1 | S126 L127 V133 T134 | S126-F130 WeakPolarHBondContact O-CB 3.45Å; S126-F130 PolarHBondContact O-N 2.99Å; L127-F130 PolarHBondContact O-N 3.3Å; F130-V133 PolarHBondContact O-N 2.91Å; F130-T134 WeakPolarHBondContact O-CB 3.48Å; F130-T134 PolarHBondContact O-N 2.98Å; F130-T134 PolarHBondContact O-OG1 3.31Å |
| 131 | A | 82.6 | Confident | 72.6 | Confident | 48 Ų | 48 | 98.9 Ų | 98.9 | 40% | 0.397 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.3 | -48 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L127 K128 I129 V133 T134 T135 | L127-A131 WeakPolarHBondContact O-CB 3.21Å; L127-A131 PolarHBondContact O-N 3.37Å; K128-A131 PolarHBondContact O-N 3.05Å; I129-A131 VanDerWaalsContact C-N 3.33Å; I129-A131 PolarHBondContact O-N 3.23Å; A131-V133 PolarHBondContact O-N 3.19Å; A131-T134 PolarHBondContact O-N 3.42Å; A131-T134 VanDerWaalsContact O-N 3.15Å; A131-T135 WeakPolarHBondContact O-CG2 3.36Å; A131-T135 PolarHBondContact O-N 2.95Å; A131-T135 PolarHBondContact O-OG1 3.48Å |
| 132 | Q | 79.4 | Confident | 71.5 | Confident | 117 Ų | 117 | 98.6 Ų | 98.6 | 55% | 0.547 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.6 | -42.2 | 178.7 | -74.7 | 177.1 | -37.7 | 0 | 0 | 113.3 | K128 I129 T134 T135 G136 | K128-Q132 WeakPolarHBondContact O-CG 3.38Å; K128-Q132 PolarHBondContact O-N 3Å; I129-Q132 PolarHBondContact O-N 3.02Å; Q132-T134 VanDerWaalsContact C-N 3.32Å; Q132-T135 PolarHBondContact O-N 2.96Å; Q132-T135 PolarHBondContact O-OG1 3.49Å; Q132-G136 PolarHBondContact O-N 3.34Å |
| 133 | V | 75.6 | Confident | 70.3 | Confident | 104 Ų | 104 | 95.8 Ų | 95.8 | 63% | 0.63 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66 | -37 | 175.8 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | I129 F130 A131 | I129-V133 HydrophobicContact CG2-CG2 4.42Å; I129-V133 WeakPolarHBondContact O-CG2 3.48Å; I129-V133 PolarHBondContact O-N 3.45Å; F130-V133 PolarHBondContact O-N 2.91Å; A131-V133 PolarHBondContact O-N 3.19Å |
| 134 | T | 71 | Confident | 69.8 | Low | 81 Ų | 81 | 94.7 Ų | 94.7 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.7 | -37.1 | 178.1 | -53.4 | 0 | 0 | 0 | 0 | 112.3 | F130 A131 Q132 | F130-T134 WeakPolarHBondContact O-CB 3.48Å; F130-T134 PolarHBondContact O-N 2.98Å; F130-T134 PolarHBondContact O-OG1 3.31Å; A131-T134 PolarHBondContact O-N 3.42Å; A131-T134 VanDerWaalsContact O-N 3.15Å; Q132-T134 VanDerWaalsContact C-N 3.32Å |
| 135 | T | 64.7 | Low | 69.1 | Low | 86 Ų | 86 | 99.3 Ų | 99.3 | 53% | 0.528 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -77.5 | -38.9 | 178.1 | 55.6 | 0 | 0 | 0 | 0 | 112.7 | A131 Q132 A137 A138 | A131-T135 WeakPolarHBondContact O-CG2 3.36Å; A131-T135 PolarHBondContact O-N 2.95Å; A131-T135 PolarHBondContact O-OG1 3.48Å; Q132-T135 PolarHBondContact O-N 2.96Å; Q132-T135 PolarHBondContact O-OG1 3.49Å; T135-A137 PolarHBondContact O-N 3.05Å; T135-A137 VanDerWaalsContact O-N 3.13Å; T135-A138 WeakPolarHBondContact O-CB 3.46Å; T135-A138 PolarHBondContact O-N 3.41Å |
| 136 | G | 55 | Low | 68.3 | Low | 27 Ų | 27 | 97 Ų | 97 | 28% | 0.278 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.8 | -18.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q132 A138 | Q132-G136 PolarHBondContact O-N 3.34Å; G136-A138 VanDerWaalsContact C-N 3.29Å; G136-A138 PolarHBondContact O-N 3.27Å |
| 137 | A | 51.7 | Low | 67.6 | Low | 75 Ų | 75 | 99 Ų | 99 | 62% | 0.62 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -17.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T135 | T135-A137 PolarHBondContact O-N 3.05Å; T135-A137 VanDerWaalsContact O-N 3.13Å |
| 138 | A | 49.3 | Very low | 67 | Low | 87 Ų | 87 | 98.4 Ų | 98.4 | 72% | 0.719 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -20.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | T135 G136 | T135-A138 WeakPolarHBondContact O-CB 3.46Å; T135-A138 PolarHBondContact O-N 3.41Å; G136-A138 VanDerWaalsContact C-N 3.29Å; G136-A138 PolarHBondContact O-N 3.27Å |
| 139 | E | 53.3 | Low | 66.5 | Low | 144 Ų | 144 | 97.3 Ų | 97.3 | 67% | 0.673 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -6.6 | -170.3 | 59.3 | -163.2 | 142.4 | 0 | 0 | 115.1 | ||
| 140 | N | 50.8 | Low | 66.1 | Low | 132 Ų | 132 | 98.7 Ų | 98.7 | 71% | 0.706 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -112.3 | 13.3 | 176.3 | -71.4 | -75.6 | 0 | 0 | 0 | 114.6 | A142 | N140-A142 PolarHBondContact O-N 3.37Å; N140-A142 VanDerWaalsContact O-N 3.14Å |
| 141 | A | 50 | Low | 65.6 | Low | 93 Ų | 93 | 97.7 Ų | 97.7 | 77% | 0.769 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 20.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 142 | A | 53.2 | Low | 65.2 | Low | 97 Ų | 97 | 102.2 Ų | 102.2 | 80% | 0.802 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | 1.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N140 S144 | N140-A142 PolarHBondContact O-N 3.37Å; N140-A142 VanDerWaalsContact O-N 3.14Å; A142-S144 PolarHBondContact O-N 3.05Å |
| 143 | G | 57.2 | Low | 65 | Low | 49 Ų | 49 | 99.5 Ų | 99.5 | 51% | 0.505 | 60% | 0.597 | S | S | . | * | trans | -68.7 | 118.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 144 | S | 70.4 | Confident | 64.9 | Low | 64 Ų | 64 | 99.2 Ų | 99.2 | 45% | 0.448 | 60% | 0.595 | S | S | . | * | trans | -59.7 | 149.9 | 172 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | A142 Q146 D147 | A142-S144 PolarHBondContact O-N 3.05Å; S144-Q146 PolarHBondContact O-N 3.06Å; S144-Q146 PolarHBondContact OG-N 3.3Å; S144-Q146 PolarHBondContact OG-OE1 3.25Å; S144-D147 WeakPolarHBondContact O-CB 3.5Å; S144-D147 PolarHBondContact O-N 2.98Å | ||
| 145 | M | 68.2 | Low | 64.9 | Low | 154 Ų | 154 | 99.9 Ų | 99.9 | 76% | 0.759 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.2 | -25.5 | 173.2 | -75.3 | -148.6 | -166.6 | 0 | 0 | 112.6 | D147 M149 | M145-D147 VanDerWaalsContact C-N 3.31Å; M145-D147 PolarHBondContact O-N 3.32Å; M145-M149 HydrophobicContact CB-CE 4.38Å; M145-M149 WeakPolarHBondContact O-CE 3.5Å; M145-M149 WeakPolarHBondContact O-CG 3.39Å; M145-M149 PolarHBondContact O-N 2.99Å; M145-M149 VanDerWaalsContact O-N 3.14Å |
| 146 | Q | 68 | Low | 64.5 | Low | 130 Ų | 130 | 98.7 Ų | 98.7 | 61% | 0.607 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -57.6 | -40.2 | 169.7 | -86.6 | 72.2 | 25.6 | 0 | 0 | 112.9 | S144 M149 Q150 | S144-Q146 PolarHBondContact O-N 3.06Å; S144-Q146 PolarHBondContact OG-N 3.3Å; S144-Q146 PolarHBondContact OG-OE1 3.25Å; Q146-M149 PolarHBondContact O-N 3.28Å; Q146-Q150 VanDerWaalsContact O-CB 3.27Å; Q146-Q150 WeakPolarHBondContact O-CB 3.47Å; Q146-Q150 PolarHBondContact O-N 2.7Å |
| 147 | D | 74.3 | Confident | 64.5 | Low | 110 Ų | 110 | 106.8 Ų | 106.8 | 59% | 0.588 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.8 | -42.7 | -176.6 | -120.9 | 1.6 | 0 | 0 | 0 | 111.1 | S144 M145 M149 Q150 E151 | S144-D147 WeakPolarHBondContact O-CB 3.5Å; S144-D147 PolarHBondContact O-N 2.98Å; M145-D147 VanDerWaalsContact C-N 3.31Å; M145-D147 PolarHBondContact O-N 3.32Å; D147-M149 VanDerWaalsContact C-N 3.35Å; D147-M149 PolarHBondContact O-N 2.91Å; D147-Q150 WeakPolarHBondContact O-CB 3.49Å; D147-Q150 PolarHBondContact O-N 3.38Å; D147-E151 WeakPolarHBondContact O-CB 3.39Å; D147-E151 PolarHBondContact O-N 2.97Å |
| 148 | V | 75.8 | Confident | 65.1 | Low | 94 Ų | 94 | 106.5 Ų | 106.5 | 57% | 0.57 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.7 | -38.9 | 176.3 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | F152 | V148-F152 WeakPolarHBondContact O-CB 3.29Å; V148-F152 PolarHBondContact O-N 3.33Å; V148-F152 VanDerWaalsContact O-N 3.09Å |
| 149 | M | 76 | Confident | 65.2 | Low | 116 Ų | 116 | 107.2 Ų | 107.2 | 57% | 0.571 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.7 | -34.6 | 174 | -72.6 | -172.5 | -72.2 | 0 | 0 | 112.4 | M145 Q146 D147 F152 A153 | M145-M149 HydrophobicContact CB-CE 4.38Å; M145-M149 WeakPolarHBondContact O-CE 3.5Å; M145-M149 WeakPolarHBondContact O-CG 3.39Å; M145-M149 PolarHBondContact O-N 2.99Å; M145-M149 VanDerWaalsContact O-N 3.14Å; Q146-M149 PolarHBondContact O-N 3.28Å; D147-M149 VanDerWaalsContact C-N 3.35Å; D147-M149 PolarHBondContact O-N 2.91Å; M149-F152 PolarHBondContact O-N 3.01Å; M149-A153 WeakPolarHBondContact O-CB 3.46Å; M149-A153 PolarHBondContact O-N 3.5Å |
| 150 | Q | 76.3 | Confident | 65 | Low | 120 Ų | 120 | 108.1 Ų | 108.1 | 56% | 0.561 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.7 | -45.2 | 175.9 | -168.4 | 66.6 | 50.3 | 0 | 0 | 110.8 | Q146 D147 F152 A153 T154 | Q146-Q150 VanDerWaalsContact O-CB 3.27Å; Q146-Q150 WeakPolarHBondContact O-CB 3.47Å; Q146-Q150 PolarHBondContact O-N 2.7Å; D147-Q150 WeakPolarHBondContact O-CB 3.49Å; D147-Q150 PolarHBondContact O-N 3.38Å; Q150-F152 PolarHBondContact O-N 3.3Å; Q150-A153 PolarHBondContact O-N 2.84Å; Q150-T154 WeakPolarHBondContact O-CG2 3.38Å; Q150-T154 PolarHBondContact O-N 3.48Å; Q150-T154 PolarHBondContact O-OG1 3.34Å |
| 151 | E | 75.7 | Confident | 64.7 | Low | 123 Ų | 123 | 108.5 Ų | 108.5 | 58% | 0.575 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -57.4 | -49.3 | 173.8 | 179.6 | 175.3 | -159.6 | 0 | 0 | 110.9 | D147 A153 T154 N155 | D147-E151 WeakPolarHBondContact O-CB 3.39Å; D147-E151 PolarHBondContact O-N 2.97Å; E151-A153 VanDerWaalsContact C-N 3.33Å; E151-A153 PolarHBondContact O-N 3.38Å; E151-T154 WeakPolarHBondContact CA-OG1 3.36Å; E151-T154 PolarHBondContact O-N 3.05Å; E151-T154 PolarHBondContact O-OG1 3.38Å; E151-N155 VanDerWaalsContact CG-ND2 3.35Å; E151-N155 WeakPolarHBondContact CG-ND2 3.44Å; E151-N155 PolarHBondContact O-N 2.92Å; E151-N155 PolarHBondContact O-ND2 3.4Å |
| 152 | F | 73.8 | Confident | 64.8 | Low | 143 Ų | 143 | 112.5 Ų | 112.5 | 63% | 0.627 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -57.9 | -43.2 | 177.1 | -174.8 | -96.7 | 0 | 0 | 0 | 112.6 | V148 M149 Q150 N155 | V148-F152 WeakPolarHBondContact O-CB 3.29Å; V148-F152 PolarHBondContact O-N 3.33Å; V148-F152 VanDerWaalsContact O-N 3.09Å; M149-F152 PolarHBondContact O-N 3.01Å; Q150-F152 PolarHBondContact O-N 3.3Å; F152-N155 PolarHBondContact O-N 2.98Å |
| 153 | A | 74.3 | Confident | 64.4 | Low | 60 Ų | 60 | 110.8 Ų | 110.8 | 50% | 0.496 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.8 | -38.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M149 Q150 E151 | M149-A153 WeakPolarHBondContact O-CB 3.46Å; M149-A153 PolarHBondContact O-N 3.5Å; Q150-A153 PolarHBondContact O-N 2.84Å; E151-A153 VanDerWaalsContact C-N 3.33Å; E151-A153 PolarHBondContact O-N 3.38Å |
| 154 | T | 73.8 | Confident | 63.4 | Low | 99 Ų | 99 | 120 Ų | 120 | 61% | 0.607 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.8 | -23.5 | 179.3 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | Q150 E151 G156 | Q150-T154 WeakPolarHBondContact O-CG2 3.38Å; Q150-T154 PolarHBondContact O-N 3.48Å; Q150-T154 PolarHBondContact O-OG1 3.34Å; E151-T154 WeakPolarHBondContact CA-OG1 3.36Å; E151-T154 PolarHBondContact O-N 3.05Å; E151-T154 PolarHBondContact O-OG1 3.38Å; T154-G156 PolarHBondContact O-N 3.39Å |
| 155 | N | 70.4 | Confident | 62 | Low | 95 Ų | 95 | 125.8 Ų | 125.8 | 51% | 0.508 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.8 | 3.1 | -179.7 | -81.5 | -51.5 | 0 | 0 | 0 | 114.5 | E151 F152 Y157 | E151-N155 VanDerWaalsContact CG-ND2 3.35Å; E151-N155 WeakPolarHBondContact CG-ND2 3.44Å; E151-N155 PolarHBondContact O-N 2.92Å; E151-N155 PolarHBondContact O-ND2 3.4Å; F152-N155 PolarHBondContact O-N 2.98Å; N155-Y157 WeakPolarHBondContact O-CD2 3.41Å; N155-Y157 WeakPolarHBondContact O-CE2 3.44Å; N155-Y157 PolarHBondContact O-N 2.91Å |
| 156 | G | 57.8 | Low | 60.4 | Low | 60 Ų | 60 | 124.2 Ų | 124.2 | 62% | 0.619 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78 | 12.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | T154 | T154-G156 PolarHBondContact O-N 3.39Š|
| 157 | Y | 55.2 | Low | 59 | Low | 197 Ų | 197 | 129.2 Ų | 129.2 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | trans | -98.2 | 6.9 | 179.1 | -67.4 | -76.1 | 0 | 0 | 0 | 114.7 | N155 S159 | N155-Y157 WeakPolarHBondContact O-CD2 3.41Å; N155-Y157 WeakPolarHBondContact O-CE2 3.44Å; N155-Y157 PolarHBondContact O-N 2.91Å; Y157-S159 PolarHBondContact O-N 2.7Å | ||
| 158 | A | 63.1 | Low | 57 | Low | 70 Ų | 70 | 127.2 Ų | 127.2 | 58% | 0.579 | 70% | 0.699 | S | S | * | * | trans | -78.2 | 106.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 159 | S | 51.8 | Low | 55 | Low | 101 Ų | 101 | 129.1 Ų | 129.1 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | -125.2 | 111.8 | 173.3 | -70.5 | 0 | 0 | 0 | 0 | 110.1 | Y157 D161 | Y157-S159 PolarHBondContact O-N 2.7Å; S159-D161 VanDerWaalsContact C-N 3.3Å; S159-D161 PolarHBondContact O-N 3.39Å | ||
| 160 | D | 49.3 | Very low | 53.2 | Low | 163 Ų | 163 | 127.9 Ų | 127.9 | 87% | 0.872 | 72% | 0.724 | S | S | * | * | trans | -81.2 | 74.4 | 175 | -42.6 | -62.4 | 0 | 0 | 0 | 109.8 | L162 | D160-L162 VanDerWaalsContact C-N 3.28Å; D160-L162 PolarHBondContact O-N 2.88Å | ||
| 161 | D | 43.9 | Very low | 51.7 | Low | 140 Ų | 140 | 127.9 Ų | 127.9 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | trans | -76.8 | 81.8 | -178.5 | -149.9 | -40.4 | 0 | 0 | 0 | 111.7 | S159 G163 | S159-D161 VanDerWaalsContact C-N 3.3Å; S159-D161 PolarHBondContact O-N 3.39Å; D161-G163 PolarHBondContact OD1-N 2.94Å | ||
| 162 | L | 51.8 | Low | 50.1 | Low | 178 Ų | 178 | 127.6 Ų | 127.6 | 93% | 0.932 | 74% | 0.744 | S | S | * | * | trans | -113.2 | 50.8 | 160.8 | -143 | 76 | 0 | 0 | 0 | 111.5 | D160 | D160-L162 VanDerWaalsContact C-N 3.28Å; D160-L162 PolarHBondContact O-N 2.88Å | ||
| 163 | G | 46 | Very low | 48.3 | Very low | 61 Ų | 61 | 129.8 Ų | 129.8 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | trans | 95.9 | 101 | 146.2 | 0 | 0 | 0 | 0 | 0 | 117 | D161 | D161-G163 PolarHBondContact OD1-N 2.94Š| ||
| 164 | R | 36.3 | Very low | 46.4 | Very low | 241 Ų | 241 | 133.4 Ų | 133.4 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | -152 | 112.5 | 134.7 | -154 | 172.4 | -178.2 | -169 | 0 | 113.2 | ||||
| 165 | M | 40.9 | Very low | 44.6 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -65.8 | 131.2 | 168.5 | -53.7 | 164.4 | -173.8 | 0 | 0 | 110.1 | ||||
| 166 | S | 34.1 | Very low | 42.9 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -158.7 | 141.4 | 147.1 | -150.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 167 | Y | 38 | Very low | 42 | Very low | 235 Ų | 235 | 144 Ų | 144 | 92% | 0.922 | 81% | 0.807 | S | S | * | * | trans | -81.6 | 142.6 | -171.7 | -89.4 | -105.9 | 0 | 0 | 0 | 113.6 | ||||
| 168 | G | 32.8 | Very low | 41.2 | Very low | 68 Ų | 68 | 140.6 Ų | 140.6 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | 100.8 | 116.7 | 137.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 169 | S | 34.7 | Very low | 39.7 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | -178.7 | 161.7 | 126.7 | -80.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 170 | A | 38.3 | Very low | 38.8 | Very low | 91 Ų | 91 | 150.3 Ų | 150.3 | 75% | 0.752 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 160.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 171 | P | 43.2 | Very low | 38 | Very low | 119 Ų | 119 | 151.8 Ų | 151.8 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 145.9 | 179.4 | 31.7 | -35.9 | 0 | 0 | 0 | 113.2 | ||
| 172 | P | 42.9 | Very low | 37.5 | Very low | 118 Ų | 118 | 153.9 Ų | 153.9 | 77% | 0.766 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 147.8 | 176.5 | 32.5 | -34.1 | 0 | 0 | 0 | 112.9 | ||
| 173 | Q | 35.4 | Very low | 36.6 | Very low | 188 Ų | 188 | 153.6 Ų | 153.6 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 148.7 | 169.6 | -66.4 | -82 | -75.3 | 0 | 0 | 110.6 | ||
| 174 | V | 34.6 | Very low | 35.9 | Very low | 137 Ų | 137 | 160.4 Ų | 160.4 | 83% | 0.83 | 85% | 0.847 | S | S | * | * | trans | -121.3 | 129.4 | 173.9 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 175 | Q | 35.3 | Very low | 35.8 | Very low | 187 Ų | 187 | 156.8 Ų | 156.8 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | trans | -76.5 | 152.6 | -178.4 | -98.2 | 136.7 | -55.9 | 0 | 0 | 113.9 | ||||
| 176 | M | 35.2 | Very low | 35.3 | Very low | 175 Ų | 175 | 157.2 Ų | 157.2 | 86% | 0.862 | 84% | 0.84 | S | S | * | * | trans | -120.3 | 150.9 | 169.5 | -76 | -102.5 | -70.8 | 0 | 0 | 110.2 | ||||
| 177 | P | 39.9 | Very low | 35 | Very low | 114 Ų | 114 | 154.9 Ų | 154.9 | 74% | 0.74 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 160.9 | -171.6 | 33.8 | -36.6 | 0 | 0 | 0 | 114.2 | ||
| 178 | P | 38.3 | Very low | 34.9 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 145.6 | -178.2 | 34.5 | -34.4 | 0 | 0 | 0 | 113.7 | ||
| 179 | Q | 31.3 | Very low | 34.8 | Very low | 197 Ų | 197 | 154.2 Ų | 154.2 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 138.2 | 164.6 | -76 | -121.7 | -61.4 | 0 | 0 | 110.8 | ||
| 180 | Q | 32.3 | Very low | 35 | Very low | 178 Ų | 178 | 155.6 Ų | 155.6 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 130.8 | 178.4 | -67.1 | 177 | -24.6 | 0 | 0 | 111.4 | ||
| 181 | Q | 33.3 | Very low | 35.5 | Very low | 194 Ų | 194 | 155.9 Ų | 155.9 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 129.3 | 163.2 | -79 | -174.6 | -27.9 | 0 | 0 | 110.1 | ||
| 182 | H | 32.7 | Very low | 34.9 | Very low | 184 Ų | 184 | 158.5 Ų | 158.5 | 85% | 0.852 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -77 | 147.6 | 173.3 | -87.4 | 73.1 | 0 | 0 | 0 | 111.3 | ||
| 183 | Q | 34.1 | Very low | 34.1 | Very low | 172 Ų | 172 | 156.6 Ų | 156.6 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -117.7 | 139 | -170 | -172.3 | 176.3 | 83.4 | 0 | 0 | 109.6 | ||||
| 184 | Q | 30.1 | Very low | 33.9 | Very low | 204 Ų | 204 | 159.3 Ų | 159.3 | 95% | 0.953 | 83% | 0.827 | S | S | * | * | trans | -143.6 | 132.5 | 169.2 | -158.3 | 169.1 | 92.6 | 0 | 0 | 109.8 | ||||
| 185 | Q | 34.5 | Very low | 33.8 | Very low | 164 Ų | 164 | 160.1 Ų | 160.1 | 77% | 0.766 | 83% | 0.826 | S | S | * | * | trans | -148.9 | 128 | -163.7 | 175 | -173.2 | 82.6 | 0 | 0 | 111.9 | ||||
| 186 | Q | 31.3 | Very low | 34.3 | Very low | 196 Ų | 196 | 157.2 Ų | 157.2 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -154.5 | 166.6 | 150 | -61 | -168.2 | 13 | 0 | 0 | 105.4 | ||||
| 187 | G | 27.5 | Very low | 34 | Very low | 72 Ų | 72 | 153.1 Ų | 153.1 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | cis | -179.4 | 172 | -1.8 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 188 | L | 34.6 | Very low | 33.5 | Very low | 148 Ų | 148 | 156.2 Ų | 156.2 | 78% | 0.775 | 82% | 0.823 | S | S | * | * | cis | -150.6 | 155 | -0.1 | -95.7 | 168.2 | 0 | 0 | 0 | 107.5 | ||||
| 189 | H | 31.8 | Very low | 33.2 | Very low | 142 Ų | 142 | 157.3 Ų | 157.3 | 66% | 0.657 | 82% | 0.821 | S | S | * | * | trans | -19.1 | 137 | 172 | 54.4 | -155.1 | 0 | 0 | 0 | 123.1 | ||||
| 190 | L | 37.8 | Very low | 33.1 | Very low | 162 Ų | 162 | 157.1 Ų | 157.1 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | 95.9 | 161.3 | 88.9 | -92.1 | 64 | 0 | 0 | 0 | 115.4 | |||||
| 191 | P | 49 | Very low | 33.1 | Very low | 97 Ų | 97 | 153.3 Ų | 153.3 | 63% | 0.63 | 82% | 0.819 | S | S | * | * | cis | -148.4 | -174.3 | -44.5 | 43.5 | -24.9 | 0 | 0 | 0 | 117.2 | ||||
| 192 | L | 30.9 | Very low | 33.1 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | trans | 66.4 | 129.4 | 162.2 | -90.3 | 63.3 | 0 | 0 | 0 | 117.4 | ||||
| 193 | G | 27 | Very low | 33 | Very low | 78 Ų | 78 | 147.4 Ų | 147.4 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | cis | -161.9 | -152.4 | -0.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 194 | R | 31.1 | Very low | 32.9 | Very low | 245 Ų | 245 | 142.6 Ų | 142.6 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | cis | -162.8 | 139.1 | -5.9 | 177.9 | -175.6 | -178.6 | -177.1 | 1.8 | 107.7 | ||||
| 195 | N | 31.5 | Very low | 33.2 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -106.4 | 156.4 | -178 | -86.6 | -39.1 | 0 | 0 | 0 | 112.7 | ||||
| 196 | P | 46.5 | Very low | 33.6 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | -142.5 | 174.2 | 84.9 | 42.7 | -26.8 | 0 | 0 | 0 | 113.3 | |||||
| 197 | A | 28.1 | Very low | 34.3 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | cis | -149.2 | 153.7 | 5.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 198 | Q | 28.8 | Very low | 35.3 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | 9.8 | 130.1 | 157.3 | -46.5 | -170.9 | -85.4 | 0 | 0 | 119.9 | ||||
| 199 | L | 32.2 | Very low | 36.3 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | -162.1 | 116.5 | 70.9 | -91 | 162.1 | 0 | 0 | 0 | 114.1 | |||||
| 200 | Q | 30.8 | Very low | 37.5 | Very low | 192 Ų | 192 | 137.5 Ų | 137.5 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | 41.7 | 97.1 | 138.7 | -149.7 | 154.5 | -4 | 0 | 0 | 120.6 | ||||
| 201 | A | 31 | Very low | 38.4 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -118.3 | 132.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 202 | N | 33.7 | Very low | 38.7 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 95% | 0.947 | 79% | 0.794 | S | S | * | * | trans | -85.8 | 113.6 | 172.2 | -118.5 | -5.7 | 0 | 0 | 0 | 108.8 | ||||
| 203 | G | 31.5 | Very low | 39.8 | Very low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -88.9 | 116 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 204 | G | 31.1 | Very low | 41.4 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | trans | -113.9 | 98.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | L206 | G204-L206 PolarHBondContact O-N 3.43Š| ||
| 205 | N | 35.9 | Very low | 42.7 | Very low | 167 Ų | 167 | 128 Ų | 128 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | trans | -72 | 96.5 | -179.9 | -89.7 | -41.7 | 0 | 0 | 0 | 110.9 | ||||
| 206 | L | 43 | Very low | 44.2 | Very low | 164 Ų | 164 | 124.7 Ų | 124.7 | 86% | 0.859 | 72% | 0.722 | S | S | * | * | trans | -103.7 | 114.1 | 161 | -72.5 | 170.5 | 0 | 0 | 0 | 108.4 | G204 | G204-L206 PolarHBondContact O-N 3.43Š| ||
| 207 | M | 47.4 | Very low | 44.9 | Very low | 166 Ų | 166 | 121.8 Ų | 121.8 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -59.1 | 136.5 | 171.1 | -60.2 | -71.5 | -90.4 | 0 | 0 | 108.8 | I209 | M207-I209 PolarHBondContact O-N 3.46Š| ||
| 208 | P | 48.6 | Very low | 47 | Very low | 125 Ų | 125 | 121.5 Ų | 121.5 | 81% | 0.812 | 69% | 0.685 | S | S | * | * | trans | -64.8 | 104.3 | 174.6 | -18.7 | 31.4 | 0 | 0 | 0 | 109.9 | ||||
| 209 | I | 55.2 | Low | 49.2 | Very low | 113 Ų | 113 | 119.5 Ų | 119.5 | 58% | 0.579 | 67% | 0.671 | S | S | * | * | trans | -61.8 | 124.5 | 166.3 | -59.7 | 177.1 | 0 | 0 | 0 | 106.2 | M207 L211 T213 | M207-I209 PolarHBondContact O-N 3.46Å; I209-L211 PolarHBondContact O-N 3.23Å; I209-T213 HydrophobicContact CG2-CG2 4.39Å; I209-T213 WeakPolarHBondContact CG2-OG1 3.44Å | ||
| 210 | P | 57 | Low | 51.2 | Low | 85 Ų | 85 | 121 Ų | 121 | 55% | 0.552 | 67% | 0.666 | S | S | * | * | trans | -60.4 | 143 | -178.7 | 24 | -32.2 | 0 | 0 | 0 | 109.8 | A212 T213 | P210-A212 PolarHBondContact O-N 3.23Å; P210-T213 PolarHBondContact O-N 3.11Å; P210-T213 PolarHBondContact O-OG1 2.92Å | ||
| 211 | L | 57.2 | Low | 53.2 | Low | 157 Ų | 157 | 117 Ų | 117 | 82% | 0.822 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -54 | -25.6 | -175.4 | -81.2 | 81.8 | 0 | 0 | 0 | 113 | I209 T213 H214 | I209-L211 PolarHBondContact O-N 3.23Å; L211-T213 PolarHBondContact O-N 2.9Å; L211-H214 PolarHBondContact O-N 3.46Å; L211-H214 VanDerWaalsContact O-N 3.12Å |
| 212 | A | 54.3 | Low | 55.3 | Low | 64 Ų | 64 | 118 Ų | 118 | 53% | 0.529 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -60.5 | -18.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P210 W215 | P210-A212 PolarHBondContact O-N 3.23Å; A212-W215 PolarHBondContact O-NE1 3.02Å |
| 213 | T | 55 | Low | 57.1 | Low | 53 Ų | 53 | 113.7 Ų | 113.7 | 33% | 0.325 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -96 | -18.8 | 173.9 | -20.9 | 0 | 0 | 0 | 0 | 112.6 | I209 P210 L211 L216 N217 | I209-T213 HydrophobicContact CG2-CG2 4.39Å; I209-T213 WeakPolarHBondContact CG2-OG1 3.44Å; P210-T213 PolarHBondContact O-N 3.11Å; P210-T213 PolarHBondContact O-OG1 2.92Å; L211-T213 PolarHBondContact O-N 2.9Å; T213-L216 PolarHBondContact O-N 3.39Å; T213-N217 PolarHBondContact O-N 2.86Å; T213-N217 VanDerWaalsContact O-N 3.17Å; T213-N217 PolarHBondContact O-ND2 3.43Å |
| 214 | H | 58.6 | Low | 59 | Low | 127 Ų | 127 | 114.2 Ų | 114.2 | 59% | 0.588 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.5 | -37.7 | -177.8 | -160.5 | 98.9 | 0 | 0 | 0 | 112 | L211 N218 | L211-H214 PolarHBondContact O-N 3.46Å; L211-H214 VanDerWaalsContact O-N 3.12Å; H214-N218 PolarHBondContact CD2-ND2 3.07Å; H214-N218 PolarHBondContact NE2-ND2 3.01Å; H214-N218 PolarHBondContact O-N 3.49Å; H214-N218 PolarHBondContact O-ND2 3.11Å |
| 215 | W | 60.4 | Low | 61.1 | Low | 155 Ų | 155 | 115.2 Ų | 115.2 | 59% | 0.587 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.2 | -37.5 | 175.2 | 80.1 | -90.7 | 0 | 0 | 0 | 112.4 | A212 N218 Y219 | A212-W215 PolarHBondContact O-NE1 3.02Å; W215-N218 PolarHBondContact O-N 2.97Å; W215-Y219 VanDerWaalsContact O-CB 3.23Å; W215-Y219 WeakPolarHBondContact O-CB 3.43Å; W215-Y219 PolarHBondContact O-N 3.12Å |
| 216 | L | 61.8 | Low | 63 | Low | 83 Ų | 83 | 110.4 Ų | 110.4 | 44% | 0.435 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.9 | -40.2 | 177.1 | -84.9 | 163.8 | 0 | 0 | 0 | 112.1 | T213 R220 | T213-L216 PolarHBondContact O-N 3.39Å; L216-R220 WeakPolarHBondContact O-CB 3.36Å; L216-R220 PolarHBondContact O-N 2.85Å |
| 217 | N | 61.9 | Low | 64.3 | Low | 66 Ų | 66 | 111 Ų | 111 | 35% | 0.353 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.7 | -48.7 | 175.6 | -70.3 | -27.7 | 0 | 0 | 0 | 111.4 | T213 Y219 R220 E221 | T213-N217 PolarHBondContact O-N 2.86Å; T213-N217 VanDerWaalsContact O-N 3.17Å; T213-N217 PolarHBondContact O-ND2 3.43Å; N217-Y219 VanDerWaalsContact C-N 3.27Å; N217-Y219 PolarHBondContact O-N 3.26Å; N217-R220 WeakPolarHBondContact O-CB 3.37Å; N217-R220 PolarHBondContact O-N 3.42Å; N217-R220 VanDerWaalsContact O-N 3.12Å; N217-E221 WeakPolarHBondContact O-CB 3.3Å; N217-E221 WeakPolarHBondContact O-CG 3.4Å; N217-E221 PolarHBondContact O-N 2.9Å |
| 218 | N | 72.3 | Confident | 65.4 | Low | 83 Ų | 83 | 110.6 Ų | 110.6 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -55.6 | -41.2 | 174.2 | -89.4 | -101.5 | 0 | 0 | 0 | 112.2 | H214 W215 E221 H222 | H214-N218 PolarHBondContact CD2-ND2 3.07Å; H214-N218 PolarHBondContact NE2-ND2 3.01Å; H214-N218 PolarHBondContact O-N 3.49Å; H214-N218 PolarHBondContact O-ND2 3.11Å; W215-N218 PolarHBondContact O-N 2.97Å; N218-E221 PolarHBondContact O-N 3.21Å; N218-H222 VanDerWaalsContact O-CB 3.3Å; N218-H222 WeakPolarHBondContact O-CB 3.23Å; N218-H222 PolarHBondContact O-N 2.9Å |
| 219 | Y | 74.1 | Confident | 66.3 | Low | 137 Ų | 137 | 110.4 Ų | 110.4 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 178.4 | -169.4 | -105.5 | 0 | 0 | 0 | 112.1 | W215 N217 H222 L223 | W215-Y219 VanDerWaalsContact O-CB 3.23Å; W215-Y219 WeakPolarHBondContact O-CB 3.43Å; W215-Y219 PolarHBondContact O-N 3.12Å; N217-Y219 VanDerWaalsContact C-N 3.27Å; N217-Y219 PolarHBondContact O-N 3.26Å; Y219-H222 PolarHBondContact O-N 3.12Å; Y219-L223 HydrophobicContact CD1-CD1 4Å; Y219-L223 HydrophobicContact CE1-CD1 3.6Å; Y219-L223 HydrophobicContact CE1-CG 4.26Å; Y219-L223 WeakPolarHBondContact O-CG 3.42Å; Y219-L223 PolarHBondContact O-N 3.22Å |
| 220 | R | 74.7 | Confident | 66.5 | Low | 180 Ų | 180 | 111.5 Ų | 111.5 | 68% | 0.679 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61 | -42.4 | 173 | -109 | 179.6 | 169.7 | 149.4 | -1.9 | 112.5 | L216 N217 N224 | L216-R220 WeakPolarHBondContact O-CB 3.36Å; L216-R220 PolarHBondContact O-N 2.85Å; N217-R220 WeakPolarHBondContact O-CB 3.37Å; N217-R220 PolarHBondContact O-N 3.42Å; N217-R220 VanDerWaalsContact O-N 3.12Å; R220-N224 PolarHBondContact O-N 3.05Å; R220-N224 VanDerWaalsContact O-N 3.11Å; R220-N224 PolarHBondContact O-ND2 3.39Å |
| 221 | E | 72.6 | Confident | 66.7 | Low | 108 Ų | 108 | 110.6 Ų | 110.6 | 51% | 0.505 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.1 | -41.8 | 178.1 | -71.3 | 160.4 | -154.4 | 0 | 0 | 111 | N217 N218 L223 N224 N225 | N217-E221 WeakPolarHBondContact O-CB 3.3Å; N217-E221 WeakPolarHBondContact O-CG 3.4Å; N217-E221 PolarHBondContact O-N 2.9Å; N218-E221 PolarHBondContact O-N 3.21Å; E221-L223 PolarHBondContact O-N 3.47Å; E221-N224 PolarHBondContact O-N 3.41Å; E221-N225 VanDerWaalsContact O-CG 3.31Å; E221-N225 PolarHBondContact O-N 2.85Å; E221-N225 PolarHBondContact O-ND2 3.42Å |
| 222 | H | 74.8 | Confident | 66.4 | Low | 120 Ų | 120 | 112.5 Ų | 112.5 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61 | -45.5 | 176 | -164 | 85.2 | 0 | 0 | 0 | 112.1 | N218 Y219 N224 N225 V226 | N218-H222 VanDerWaalsContact O-CB 3.3Å; N218-H222 WeakPolarHBondContact O-CB 3.23Å; N218-H222 PolarHBondContact O-N 2.9Å; Y219-H222 PolarHBondContact O-N 3.12Å; H222-N224 PolarHBondContact O-N 2.92Å; H222-N225 PolarHBondContact O-N 2.92Å; H222-V226 WeakPolarHBondContact O-CG2 3.37Å; H222-V226 PolarHBondContact O-N 3.4Å |
| 223 | L | 70.9 | Confident | 66 | Low | 87 Ų | 87 | 115.5 Ų | 115.5 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 175.1 | -68.9 | 178.4 | 0 | 0 | 0 | 112.6 | Y219 E221 V226 W227 | Y219-L223 HydrophobicContact CD1-CD1 4Å; Y219-L223 HydrophobicContact CE1-CD1 3.6Å; Y219-L223 HydrophobicContact CE1-CG 4.26Å; Y219-L223 WeakPolarHBondContact O-CG 3.42Å; Y219-L223 PolarHBondContact O-N 3.22Å; E221-L223 PolarHBondContact O-N 3.47Å; L223-V226 PolarHBondContact O-N 2.9Å; L223-W227 WeakPolarHBondContact O-CB 3.46Å; L223-W227 PolarHBondContact O-N 2.85Å |
| 224 | N | 72.6 | Confident | 65.5 | Low | 88 Ų | 88 | 118 Ų | 118 | 47% | 0.471 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.7 | -38.6 | 173.9 | -87.5 | -83.1 | 0 | 0 | 0 | 112.4 | R220 E221 H222 W227 R228 | R220-N224 PolarHBondContact O-N 3.05Å; R220-N224 VanDerWaalsContact O-N 3.11Å; R220-N224 PolarHBondContact O-ND2 3.39Å; E221-N224 PolarHBondContact O-N 3.41Å; H222-N224 PolarHBondContact O-N 2.92Å; N224-W227 PolarHBondContact O-N 3.4Å; N224-R228 WeakPolarHBondContact O-CB 3.36Å; N224-R228 VanDerWaalsContact O-CG 3.31Å; N224-R228 WeakPolarHBondContact O-CG 3.39Å; N224-R228 PolarHBondContact O-N 3.03Å |
| 225 | N | 75 | Confident | 64.9 | Low | 91 Ų | 91 | 116.9 Ų | 116.9 | 49% | 0.487 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.6 | -41 | 176.7 | -72 | -30.3 | 0 | 0 | 0 | 112 | E221 H222 R228 N229 | E221-N225 VanDerWaalsContact O-CG 3.31Å; E221-N225 PolarHBondContact O-N 2.85Å; E221-N225 PolarHBondContact O-ND2 3.42Å; H222-N225 PolarHBondContact O-N 2.92Å; N225-R228 PolarHBondContact O-N 2.92Å; N225-N229 WeakPolarHBondContact O-CB 3.43Å; N225-N229 PolarHBondContact O-N 3.39Å |
| 226 | V | 76.6 | Confident | 64 | Low | 66 Ų | 66 | 113.4 Ų | 113.4 | 40% | 0.4 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.6 | -44.3 | 172.6 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | H222 L223 N229 M230 | H222-V226 WeakPolarHBondContact O-CG2 3.37Å; H222-V226 PolarHBondContact O-N 3.4Å; L223-V226 PolarHBondContact O-N 2.9Å; V226-N229 PolarHBondContact O-N 3.25Å; V226-M230 WeakPolarHBondContact O-CB 3.38Å; V226-M230 PolarHBondContact O-N 2.89Å |
| 227 | W | 69.8 | Low | 63.2 | Low | 178 Ų | 178 | 114.8 Ų | 114.8 | 67% | 0.674 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.9 | -40.5 | 177.3 | -173.1 | 86.7 | 0 | 0 | 0 | 112.8 | L223 N224 M230 S231 | L223-W227 WeakPolarHBondContact O-CB 3.46Å; L223-W227 PolarHBondContact O-N 2.85Å; N224-W227 PolarHBondContact O-N 3.4Å; W227-M230 PolarHBondContact O-N 3.46Å; W227-S231 WeakPolarHBondContact O-CB 3.4Å; W227-S231 PolarHBondContact O-N 2.85Å; W227-S231 PolarHBondContact O-OG 3.31Å |
| 228 | R | 71.1 | Confident | 62.4 | Low | 156 Ų | 156 | 119.4 Ų | 119.4 | 59% | 0.589 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.2 | -43.1 | 173.6 | -79.2 | 173.2 | 167.9 | -106.4 | -1.4 | 112.5 | N224 N225 S231 Y232 | N224-R228 WeakPolarHBondContact O-CB 3.36Å; N224-R228 VanDerWaalsContact O-CG 3.31Å; N224-R228 WeakPolarHBondContact O-CG 3.39Å; N224-R228 PolarHBondContact O-N 3.03Å; N225-R228 PolarHBondContact O-N 2.92Å; R228-S231 WeakPolarHBondContact CA-OG 3.31Å; R228-S231 PolarHBondContact O-N 2.92Å; R228-S231 PolarHBondContact O-OG 3.08Å; R228-S231 VanDerWaalsContact O-OG 3.08Å; R228-Y232 PolarHBondContact O-N 3.39Å |
| 229 | N | 65.7 | Low | 60.8 | Low | 121 Ų | 121 | 121.5 Ų | 121.5 | 65% | 0.647 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.3 | -31.9 | 177.2 | -73.1 | 0.5 | 0 | 0 | 0 | 112.6 | N225 V226 | N225-N229 WeakPolarHBondContact O-CB 3.43Å; N225-N229 PolarHBondContact O-N 3.39Å; V226-N229 PolarHBondContact O-N 3.25Å |
| 230 | M | 60.1 | Low | 59.2 | Low | 136 Ų | 136 | 124.2 Ų | 124.2 | 67% | 0.67 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.7 | -30.3 | 175.4 | -159.5 | 74.6 | 75.8 | 0 | 0 | 112.5 | V226 W227 | V226-M230 WeakPolarHBondContact O-CB 3.38Å; V226-M230 PolarHBondContact O-N 2.89Å; W227-M230 PolarHBondContact O-N 3.46Å |
| 231 | S | 61.1 | Low | 57.3 | Low | 67 Ų | 67 | 119.3 Ų | 119.3 | 47% | 0.469 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -83.9 | -19.4 | 177.4 | 47 | 0 | 0 | 0 | 0 | 113.8 | W227 R228 | W227-S231 WeakPolarHBondContact O-CB 3.4Å; W227-S231 PolarHBondContact O-N 2.85Å; W227-S231 PolarHBondContact O-OG 3.31Å; R228-S231 WeakPolarHBondContact CA-OG 3.31Å; R228-S231 PolarHBondContact O-N 2.92Å; R228-S231 PolarHBondContact O-OG 3.08Å; R228-S231 VanDerWaalsContact O-OG 3.08Å |
| 232 | Y | 50.8 | Low | 55.6 | Low | 196 Ų | 196 | 122 Ų | 122 | 77% | 0.769 | 67% | 0.669 | S | S | * | * | trans | -105.9 | 69.3 | 170.2 | -84.1 | -92.6 | 0 | 0 | 0 | 112.1 | R228 P234 | R228-Y232 PolarHBondContact O-N 3.39Å; Y232-P234 WeakPolarHBondContact O-CD 3.37Å | ||
| 233 | I | 47.3 | Very low | 53.7 | Low | 128 Ų | 128 | 124.7 Ų | 124.7 | 66% | 0.656 | 68% | 0.682 | S | S | * | * | trans | -101.3 | 103.1 | 156.6 | -59.8 | 176.7 | 0 | 0 | 0 | 107.4 | A235 | I233-A235 PolarHBondContact O-N 3.17Š| ||
| 234 | P | 42.9 | Very low | 51.9 | Low | 106 Ų | 106 | 124.1 Ų | 124.1 | 69% | 0.688 | 69% | 0.689 | S | S | * | * | trans | -67 | 126 | 166.4 | -10.1 | 25.6 | 0 | 0 | 0 | 108.2 | Y232 A236 | Y232-P234 WeakPolarHBondContact O-CD 3.37Å; P234-A236 PolarHBondContact O-N 2.85Å | ||
| 235 | A | 46.3 | Very low | 50.2 | Low | 103 Ų | 103 | 128.7 Ų | 128.7 | 85% | 0.851 | 71% | 0.708 | S | S | * | * | trans | -71.4 | 81.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I233 | I233-A235 PolarHBondContact O-N 3.17Š| ||
| 236 | A | 42 | Very low | 48.1 | Very low | 82 Ų | 82 | 130.2 Ų | 130.2 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | trans | -75.3 | 125.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P234 | P234-A236 PolarHBondContact O-N 2.85Š| ||
| 237 | P | 44.9 | Very low | 46 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | trans | -73.2 | 134 | 173 | 29.8 | -32.8 | 0 | 0 | 0 | 110.3 | T239 | P237-T239 PolarHBondContact O-N 3.3Š| ||
| 238 | N | 43.8 | Very low | 44.3 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | -67.9 | 104.4 | 176.4 | -70.3 | -66.7 | 0 | 0 | 0 | 111.2 | ||||
| 239 | T | 38.9 | Very low | 42.5 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -123.9 | 100.1 | 163.1 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | P237 G241 | P237-T239 PolarHBondContact O-N 3.3Å; T239-G241 PolarHBondContact O-N 3.5Å | ||
| 240 | M | 40.3 | Very low | 41 | Very low | 193 Ų | 193 | 128 Ų | 128 | 95% | 0.951 | 77% | 0.769 | S | S | * | * | trans | -73 | 114.7 | 170.6 | -70.4 | -171 | 177.6 | 0 | 0 | 109.2 | ||||
| 241 | G | 34.9 | Very low | 39.8 | Very low | 77 Ų | 77 | 126.7 Ų | 126.7 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -79.3 | 130.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T239 | T239-G241 PolarHBondContact O-N 3.5Š| ||
| 242 | L | 38.8 | Very low | 38.8 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | trans | -85.6 | 156.3 | 155.8 | -116.4 | 84.4 | 0 | 0 | 0 | 109.5 | ||||
| 243 | Q | 34 | Very low | 38.1 | Very low | 178 Ų | 178 | 127.5 Ų | 127.5 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 98.4 | 88.1 | 149.9 | -152.2 | 148.1 | -19.1 | 0 | 0 | 120.2 | ||||
| 244 | A | 33.8 | Very low | 37.5 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 61% | 0.612 | 80% | 0.798 | S | S | * | * | 66 | 128.5 | 115.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 245 | Q | 36.1 | Very low | 37 | Very low | 185 Ų | 185 | 126.8 Ų | 126.8 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | 67.8 | 145.5 | 144.5 | -61.9 | 171.7 | 19.9 | 0 | 0 | 116.8 | ||||
| 246 | T | 31.3 | Very low | 36.6 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | cis | -149.2 | 159.4 | 23.1 | 42.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 247 | A | 32.6 | Very low | 36 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 58.9 | 114.9 | 143.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 248 | A | 34.2 | Very low | 35.6 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | -158.6 | 126.1 | 124.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 249 | T | 33.6 | Very low | 35.2 | Very low | 131 Ų | 131 | 128 Ų | 128 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -70.8 | 149.3 | 161.9 | 51.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 250 | V | 34.4 | Very low | 34.9 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | cis | -145 | -170 | 35.8 | -68.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 251 | S | 34.4 | Very low | 34.5 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | cis | -155.1 | -171.4 | 10.8 | -155.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 252 | T | 38.7 | Very low | 34.2 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -100 | 143.2 | -175 | 51.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 253 | N | 38 | Very low | 35.1 | Very low | 154 Ų | 154 | 127 Ų | 127 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | -158.2 | 150.8 | 122.4 | -153.4 | -1.7 | 0 | 0 | 0 | 113.1 | |||||
| 254 | L | 34.2 | Very low | 35 | Very low | 155 Ų | 155 | 125.2 Ų | 125.2 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -74.6 | 166.5 | 169.2 | -76.8 | 54.3 | 0 | 0 | 0 | 109.7 | ||||
| 255 | G | 31.8 | Very low | 34.9 | Very low | 64 Ų | 64 | 130.9 Ų | 130.9 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | cis | 171.1 | -168.7 | 2.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 256 | V | 37 | Very low | 34.9 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 99% | 0.988 | 81% | 0.806 | S | S | * | * | trans | 73.4 | 130.9 | -174.9 | -165.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 257 | G | 29.8 | Very low | 34.9 | Very low | 58 Ų | 58 | 127.7 Ų | 127.7 | 60% | 0.598 | 81% | 0.81 | S | S | * | * | cis | 166.8 | 152.8 | -6.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 258 | M | 37.8 | Very low | 35.1 | Very low | 200 Ų | 200 | 131 Ų | 131 | 99% | 0.985 | 81% | 0.808 | S | S | * | * | trans | 66.6 | 140.1 | 178.6 | -46.7 | -59.8 | -176.1 | 0 | 0 | 116.5 | ||||
| 259 | G | 33.8 | Very low | 35.3 | Very low | 65 Ų | 65 | 134.6 Ų | 134.6 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | cis | -178.1 | 152.7 | -7.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 260 | L | 33.5 | Very low | 35.4 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 97% | 0.974 | 82% | 0.817 | S | S | * | * | trans | 52.6 | 110.3 | 149.6 | -52.2 | 179.6 | 0 | 0 | 0 | 120.4 | ||||
| 261 | G | 31.1 | Very low | 35.3 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -171.8 | 79.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 262 | L | 30.1 | Very low | 35.2 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | trans | -145.6 | 161.5 | 170.6 | -82.4 | 174.5 | 0 | 0 | 0 | 108.3 | ||||
| 263 | P | 56.5 | Low | 35.4 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 71% | 0.708 | 82% | 0.823 | S | S | * | * | cis | -128.1 | -168.4 | -32.2 | 37.6 | -21.5 | 0 | 0 | 0 | 110.4 | ||||
| 264 | V | 32.3 | Very low | 35.5 | Very low | 139 Ų | 139 | 137 Ų | 137 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | trans | -176.5 | 148.4 | 136.5 | 141.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 265 | Q | 32 | Very low | 35.8 | Very low | 193 Ų | 193 | 135.6 Ų | 135.6 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -123.2 | 171.8 | -179.7 | -67.6 | 173.7 | -20.6 | 0 | 0 | 110.5 | ||||
| 266 | G | 34.9 | Very low | 36.4 | Very low | 64 Ų | 64 | 137.7 Ų | 137.7 | 66% | 0.66 | 83% | 0.833 | S | S | * | * | trans | 108.2 | 139.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 267 | E | 31.7 | Very low | 36.8 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 83% | 0.827 | 83% | 0.825 | S | S | * | * | cis | -152.4 | 167.2 | 7.7 | -147.5 | 95.1 | 148.9 | 0 | 0 | 110.9 | ||||
| 268 | Q | 38.2 | Very low | 37.7 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | -55.2 | 153.3 | 165.9 | -87.2 | 99.2 | -47.9 | 0 | 0 | 113.2 | ||||
| 269 | L | 36.5 | Very low | 38.3 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 95% | 0.948 | 82% | 0.821 | S | S | * | * | -152.4 | 156.2 | 123.7 | -106.9 | 171.9 | 0 | 0 | 0 | 111.9 | |||||
| 270 | R | 37.4 | Very low | 39 | Very low | 242 Ų | 242 | 142.4 Ų | 142.4 | 91% | 0.913 | 83% | 0.828 | S | S | * | * | trans | -117 | 133.9 | -164.2 | 171.8 | -171.5 | -74.3 | -138.4 | -1.5 | 110.4 | ||||
| 271 | G | 31.3 | Very low | 40 | Very low | 78 Ų | 78 | 139.8 Ų | 139.8 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -162.2 | 132.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 272 | A | 33.3 | Very low | 41.1 | Very low | 100 Ų | 100 | 144 Ų | 144 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -107.7 | 150.7 | -164.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 273 | S | 41.6 | Very low | 42.3 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -153.5 | 137.4 | 150 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 274 | N | 40.9 | Very low | 42.1 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | -79.6 | 153.9 | -173.1 | -58.6 | -42.1 | 0 | 0 | 0 | 112.2 | ||||
| 275 | S | 39.1 | Very low | 43.2 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 88% | 0.881 | 80% | 0.804 | S | S | * | * | trans | -152 | 147.9 | 138.7 | -149.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 276 | S | 44.6 | Very low | 44.2 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -75.2 | 137 | -152.1 | -57.6 | 0 | 0 | 0 | 0 | 115.7 | N278 | S276-N278 PolarHBondContact O-N 3.13Š| ||
| 277 | N | 45.9 | Very low | 44.8 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -64.5 | 122.4 | 157.6 | -130.3 | -6.9 | 0 | 0 | 0 | 108.6 | ||||
| 278 | N | 48.3 | Very low | 45.8 | Very low | 141 Ų | 141 | 151.4 Ų | 151.4 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | -141.1 | 89.6 | 170.9 | -147.6 | -8 | 0 | 0 | 0 | 110.7 | S276 N280 | S276-N278 PolarHBondContact O-N 3.13Å; N278-N280 PolarHBondContact O-N 3.48Å | ||
| 279 | N | 50.5 | Low | 46.5 | Very low | 138 Ų | 138 | 154.4 Ų | 154.4 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | trans | -75.5 | 108.9 | 176.7 | -84.2 | -28.5 | 0 | 0 | 0 | 110.1 | ||||
| 280 | N | 49.8 | Very low | 47.3 | Very low | 153 Ų | 153 | 152.4 Ų | 152.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -146.1 | 73.8 | 163.3 | -104.2 | -36 | 0 | 0 | 0 | 111 | N278 | N278-N280 PolarHBondContact O-N 3.48Š| ||
| 281 | N | 52.9 | Low | 48 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -89.4 | 120.8 | 161.3 | -86.2 | -32 | 0 | 0 | 0 | 108.5 | ||||
| 282 | N | 54.8 | Low | 49 | Very low | 166 Ų | 166 | 151.2 Ų | 151.2 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -177.1 | 39.3 | 148.5 | -94.7 | -16.2 | 0 | 0 | 0 | 114.5 | ||||
| 283 | N | 56.6 | Low | 50 | Low | 141 Ų | 141 | 151.1 Ų | 151.1 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | -156.3 | 44.6 | 171.4 | -134.9 | -16.7 | 0 | 0 | 0 | 116.6 | ||||
| 284 | K | 50.8 | Low | 50.4 | Low | 170 Ų | 170 | 154.3 Ų | 154.3 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | trans | -124.4 | 34.5 | -175.2 | -76.5 | -175.8 | 177.8 | 171.2 | 0 | 115.5 | ||||
| 285 | V | 56.2 | Low | 51 | Low | 103 Ų | 103 | 154.8 Ų | 154.8 | 62% | 0.624 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -101.1 | -33.8 | -177.9 | -176.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 286 | Y | 52.1 | Low | 52 | Low | 202 Ų | 202 | 155.4 Ų | 155.4 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -104.4 | 12.9 | -165.6 | -36.7 | -69.8 | 0 | 0 | 0 | 116.9 | ||
| 287 | K | 48.7 | Very low | 53 | Low | 197 Ų | 197 | 154.8 Ų | 154.8 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -133 | 41.3 | -174.3 | -145.6 | 169.2 | -172 | 173.4 | 0 | 114.2 | ||||
| 288 | R | 52.5 | Low | 54.6 | Low | 192 Ų | 192 | 155.5 Ų | 155.5 | 73% | 0.725 | 77% | 0.766 | S | S | * | * | trans | -97.1 | 18.3 | -172.8 | -66 | -165.1 | -177.5 | -166.6 | 4.4 | 116.5 | ||||
| 289 | Y | 53.3 | Low | 56.7 | Low | 234 Ų | 234 | 151.5 Ų | 151.5 | 92% | 0.918 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -134 | 26 | -179.8 | -74.7 | -76.5 | 0 | 0 | 0 | 115.7 | ||
| 290 | N | 52.5 | Low | 58.8 | Low | 139 Ų | 139 | 144.9 Ų | 144.9 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | trans | -149 | 56.1 | 163.5 | -161.5 | -3.8 | 0 | 0 | 0 | 112.2 | ||||
| 291 | S | 52.3 | Low | 60.9 | Low | 111 Ų | 111 | 141.6 Ų | 141.6 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -91.7 | 99.8 | 157.4 | -65.3 | 0 | 0 | 0 | 0 | 106.7 | A293 | S291-A293 PolarHBondContact O-N 2.97Š| ||
| 292 | K | 53 | Low | 62.9 | Low | 184 Ų | 184 | 137.4 Ų | 137.4 | 80% | 0.8 | 67% | 0.668 | S | S | * | * | trans | -46.4 | 134 | 160.2 | -69.8 | -169.6 | 175.7 | -174.2 | 0 | 107.3 | K294 | K292-K294 PolarHBondContact O-N 2.86Š| ||
| 293 | A | 54 | Low | 64.8 | Low | 97 Ų | 97 | 129.5 Ų | 129.5 | 80% | 0.802 | 63% | 0.626 | S | S | * | * | trans | -46.5 | 120.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | S291 E295 | S291-A293 PolarHBondContact O-N 2.97Å; A293-E295 VanDerWaalsContact C-N 3.29Å; A293-E295 PolarHBondContact O-N 3.26Å | ||
| 294 | K | 48.6 | Very low | 66.6 | Low | 192 Ų | 192 | 127.3 Ų | 127.3 | 84% | 0.835 | 61% | 0.611 | S | S | * | * | trans | -61.4 | 101.8 | -177.5 | -176.5 | -167.6 | 179.4 | -163.7 | 0 | 105.4 | K292 I296 | K292-K294 PolarHBondContact O-N 2.86Å; K294-I296 PolarHBondContact O-N 2.77Å | ||
| 295 | E | 54.5 | Low | 68.7 | Low | 171 Ų | 171 | 125.2 Ų | 125.2 | 80% | 0.799 | 61% | 0.608 | S | S | * | * | trans | -58.5 | 105.2 | -179.6 | -173.9 | 167.6 | -158.5 | 0 | 0 | 106.1 | A293 S297 | A293-E295 VanDerWaalsContact C-N 3.29Å; A293-E295 PolarHBondContact O-N 3.26Å; E295-S297 PolarHBondContact O-N 3.46Å | ||
| 296 | I | 59.5 | Low | 70.4 | Confident | 140 Ų | 140 | 123.9 Ų | 123.9 | 72% | 0.718 | 60% | 0.597 | S | S | * | * | trans | -68.5 | 95.8 | 174.1 | -64.5 | 159.7 | 0 | 0 | 0 | 102.7 | K294 R298 | K294-I296 PolarHBondContact O-N 2.77Å; I296-R298 WeakPolarHBondContact O-CG 3.35Å; I296-R298 PolarHBondContact O-N 3.48Å | ||
| 297 | S | 65.1 | Low | 72.5 | Confident | 96 Ų | 96 | 121.3 Ų | 121.3 | 67% | 0.671 | 60% | 0.597 | S | S | * | * | trans | -52.6 | 98.8 | -170.3 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | E295 H299 | E295-S297 PolarHBondContact O-N 3.46Å; S297-H299 PolarHBondContact O-N 3.15Å | ||
| 298 | R | 80.7 | Confident | 74.6 | Confident | 166 Ų | 166 | 114 Ų | 114 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | trans | -80.8 | 59.1 | -177.7 | -62.9 | -166.1 | -179.5 | -174.7 | 0.5 | 108.9 | I296 I313 N314 S315 H316 | I296-R298 WeakPolarHBondContact O-CG 3.35Å; I296-R298 PolarHBondContact O-N 3.48Å; R298-I313 VanDerWaalsContact O-O 3.08Å; R298-N314 CarbonylContact O-C 3.54Å; R298-N314 WeakPolarHBondContact O-CA 3.5Å; R298-S315 WeakPolarHBondContact CD-O 3.18Å; R298-S315 PolarHBondContact O-N 3.15Å; R298-H316 CarbonylContact C-O 3.18Å; R298-H316 CarbonylContact O-C 2.9Å; R298-H316 VanDerWaalsContact O-C 3.32Å; R298-H316 PolarHBondContact O-N 3.36Å | ||
| 299 | H | 92.2 | Very high | 76.5 | Confident | 57 Ų | 57 | 108.7 Ų | 108.7 | 26% | 0.264 | 56% | 0.556 | S | S | . | * | trans | -97.4 | 127.9 | -171.8 | 168.7 | 86.1 | 0 | 0 | 0 | 110.4 | S297 E304 I313 H316 | S297-H299 PolarHBondContact O-N 3.15Å; H299-E304 VanDerWaalsContact CE1-CD 3.46Å; H299-E304 IonicContact CE1-OE1 3.35Å; H299-E304 PolarHBondContact CE1-OE1 3.42Å; H299-E304 IonicContact CE1-OE2 3.47Å; H299-E304 PolarHBondContact CE1-OE2 3.46Å; H299-E304 IonicContact NE2-OE2 3.38Å; H299-E304 PolarHBondContact NE2-OE2 2.88Å; H299-I313 CarbonylContact C-O 3.32Å; H299-I313 WeakPolarHBondContact CA-O 3.46Å; H299-I313 WeakPolarHBondContact ND1-CG2 3.47Å; H299-H316 CarbonylContact C-O 3.21Å | ||
| 300 | C | 94.8 | Very high | 78.4 | Confident | 0 Ų | 0 | 104.4 Ų | 104.4 | 0% | 0 | 55% | 0.545 | C | S | . | . | trans | -108.1 | 98.4 | -179.8 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | F302 C303 E304 I313 H316 | C300-F302 PolarHBondContact O-N 3Å; C300-F302 VanDerWaalsContact O-N 3.14Å; C300-C303 HydrophobicContact CB-CB 3.99Å; C300-C303 PolarHBondContact O-N 2.96Å; C300-C303 PolarHBondContact SG-N 2.92Å; C300-E304 PolarHBondContact O-N 3.44Å; C300-I313 PolarHBondContact N-O 2.74Å; C300-H316 WeakPolarHBondContact CB-NE2 3.44Å; C300-H316 VanDerWaalsContact CB-O 3.26Å; C300-H316 WeakPolarHBondContact CB-O 3.39Å; C300-H316 PolarHBondContact N-O 3.17Å; C300-H316 VanDerWaalsContact N-O 3.16Å; C300-H316 PolarHBondContact SG-NE2 3Å | ||
| 301 | V | 94.1 | Very high | 80.2 | Confident | 84 Ų | 84 | 101.8 Ų | 101.8 | 51% | 0.509 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -54 | -32.8 | 174.6 | -173 | 0 | 0 | 0 | 0 | 112.4 | E304 N305 V318 | V301-E304 PolarHBondContact O-N 3.21Å; V301-N305 WeakPolarHBondContact O-CB 3.3Å; V301-N305 PolarHBondContact O-N 3.41Å; V301-V318 HydrophobicContact CB-CG2 4.21Å |
| 302 | F | 94.7 | Very high | 82 | Confident | 44 Ų | 44 | 98.7 Ų | 98.7 | 19% | 0.193 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -68 | -41.2 | 176.9 | -176.3 | -97.2 | 0 | 0 | 0 | 112.4 | C300 N306 V318 K329 L330 T347 | C300-F302 PolarHBondContact O-N 3Å; C300-F302 VanDerWaalsContact O-N 3.14Å; F302-N306 WeakPolarHBondContact CE1-ND2 3.46Å; F302-N306 WeakPolarHBondContact CZ-ND2 3.44Å; F302-N306 PolarHBondContact O-N 2.9Å; F302-N306 PolarHBondContact O-ND2 2.97Å; F302-V318 HydrophobicContact CB-CG1 4.47Å; F302-V318 HydrophobicContact CB-CG2 4.33Å; F302-K329 HydrophobicContact CD1-CB 4.43Å; F302-K329 HydrophobicContact CE1-CB 3.99Å; F302-L330 HydrophobicContact CD1-CB 4Å; F302-L330 HydrophobicContact CD2-CD1 4.47Å; F302-L330 HydrophobicContact CE1-CB 3.9Å; F302-L330 HydrophobicContact CE1-CD1 4.48Å; F302-L330 HydrophobicContact CE2-CD1 3.97Å; F302-L330 HydrophobicContact CG-CB 4.42Å; F302-L330 HydrophobicContact CZ-CB 4.25Å; F302-L330 HydrophobicContact CZ-CD1 3.96Å; F302-T347 HydrophobicContact CE2-CG2 3.85Å; F302-T347 HydrophobicContact CZ-CG2 4.4Å |
| 303 | C | 94.4 | Very high | 84 | Confident | 0 Ų | 0 | 91 Ų | 91 | 0% | 0 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -72.8 | -34.1 | 174.9 | -75.5 | 0 | 0 | 0 | 0 | 112 | C300 N306 N307 E308 V312 I313 C327 | C300-C303 HydrophobicContact CB-CB 3.99Å; C300-C303 PolarHBondContact O-N 2.96Å; C300-C303 PolarHBondContact SG-N 2.92Å; C303-N306 CarbonylContact O-C 3.57Å; C303-N306 PolarHBondContact O-N 3.28Å; C303-N307 PolarHBondContact O-N 3.29Å; C303-E308 HydrophobicContact CB-CB 3.96Å; C303-E308 HydrophobicContact CB-CG 3.93Å; C303-E308 WeakPolarHBondContact O-CB 3.49Å; C303-E308 PolarHBondContact O-N 3.46Å; C303-V312 HydrophobicContact CB-CG1 4.45Å; C303-I313 HydrophobicContact CB-CG1 4.2Å; C303-C327 VanDerWaalsContact SG-SG 3.63Å |
| 304 | E | 94.1 | Very high | 85.8 | Confident | 94 Ų | 94 | 90 Ų | 90 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.6 | -50 | 173.8 | -178.8 | 179.8 | -127.1 | 0 | 0 | 111.7 | H299 C300 V301 N306 N307 I313 | H299-E304 VanDerWaalsContact CE1-CD 3.46Å; H299-E304 IonicContact CE1-OE1 3.35Å; H299-E304 PolarHBondContact CE1-OE1 3.42Å; H299-E304 IonicContact CE1-OE2 3.47Å; H299-E304 PolarHBondContact CE1-OE2 3.46Å; H299-E304 IonicContact NE2-OE2 3.38Å; H299-E304 PolarHBondContact NE2-OE2 2.88Å; C300-E304 PolarHBondContact O-N 3.44Å; V301-E304 PolarHBondContact O-N 3.21Å; E304-N306 PolarHBondContact O-N 2.93Å; E304-N307 PolarHBondContact O-N 3.34Å; E304-I313 HydrophobicContact CB-CD1 4.07Å; E304-I313 HydrophobicContact CB-CG1 4.38Å; E304-I313 HydrophobicContact CB-CG2 4.08Å; E304-I313 HydrophobicContact CG-CD1 4.4Å |
| 305 | N | 95 | Very high | 87.8 | Confident | 126 Ų | 126 | 83.5 Ų | 83.5 | 67% | 0.674 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.1 | -25.8 | 177.2 | -174 | 87.4 | 0 | 0 | 0 | 113.1 | V301 N307 | V301-N305 WeakPolarHBondContact O-CB 3.3Å; V301-N305 PolarHBondContact O-N 3.41Å; N305-N307 VanDerWaalsContact C-N 3.33Å |
| 306 | N | 92.9 | Very high | 89.6 | Confident | 75 Ų | 75 | 76.5 Ų | 76.5 | 40% | 0.401 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 7.7 | 175.9 | -66 | -26.3 | 0 | 0 | 0 | 113.4 | F302 C303 E304 E308 | F302-N306 WeakPolarHBondContact CE1-ND2 3.46Å; F302-N306 WeakPolarHBondContact CZ-ND2 3.44Å; F302-N306 PolarHBondContact O-N 2.9Å; F302-N306 PolarHBondContact O-ND2 2.97Å; C303-N306 CarbonylContact O-C 3.57Å; C303-N306 PolarHBondContact O-N 3.28Å; E304-N306 PolarHBondContact O-N 2.93Å; N306-E308 HydrophobicContact CB-CG 4.36Å; N306-E308 PolarHBondContact O-N 2.97Å |
| 307 | N | 94.4 | Very high | 91.3 | Very high | 148 Ų | 148 | 71.8 Ų | 71.8 | 79% | 0.791 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 34.8 | -178.2 | -57.2 | 117.6 | 0 | 0 | 0 | 114.4 | C303 E304 N305 | C303-N307 PolarHBondContact O-N 3.29Å; E304-N307 PolarHBondContact O-N 3.34Å; N305-N307 VanDerWaalsContact C-N 3.33Å |
| 308 | E | 94.1 | Very high | 92.6 | Very high | 44 Ų | 44 | 69 Ų | 69 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | trans | -64.1 | 156.3 | 169.6 | -64.8 | -80.3 | 175.6 | 0 | 0 | 110.4 | C303 N306 V312 I313 K329 | C303-E308 HydrophobicContact CB-CB 3.96Å; C303-E308 HydrophobicContact CB-CG 3.93Å; C303-E308 WeakPolarHBondContact O-CB 3.49Å; C303-E308 PolarHBondContact O-N 3.46Å; N306-E308 HydrophobicContact CB-CG 4.36Å; N306-E308 PolarHBondContact O-N 2.97Å; E308-V312 HydrophobicContact CB-CB 4.34Å; E308-V312 HydrophobicContact CB-CG1 4.16Å; E308-I313 HydrophobicContact CB-CG1 4.45Å; E308-I313 WeakPolarHBondContact O-CD1 3.39Å; E308-K329 VanDerWaalsContact CD-NZ 3.34Å; E308-K329 WeakPolarHBondContact OE1-CE 3.39Å; E308-K329 IonicContact OE1-NZ 2.63Å; E308-K329 PolarHBondContact OE1-NZ 3Å; E308-K329 IonicContact OE2-NZ 3.28Å; E308-K329 PolarHBondContact OE2-NZ 2.79Å | ||
| 309 | P | 92.8 | Very high | 93.2 | Very high | 80 Ų | 80 | 67.6 Ų | 67.6 | 52% | 0.519 | 37% | 0.367 | S | S | . | . | trans | -62.5 | 148.7 | 179.8 | 25.2 | -34.5 | 0 | 0 | 0 | 112 | A311 V312 I313 | P309-A311 PolarHBondContact O-N 3.41Å; P309-A311 VanDerWaalsContact O-N 3.09Å; P309-V312 HydrophobicContact CG-CB 4.2Å; P309-V312 HydrophobicContact CG-CG2 3.84Å; P309-V312 WeakPolarHBondContact O-CA 3.37Å; P309-V312 WeakPolarHBondContact O-CB 3.28Å; P309-V312 PolarHBondContact O-N 2.91Å; P309-I313 PolarHBondContact O-N 3.47Å | ||
| 310 | E | 92.3 | Very high | 93.1 | Very high | 144 Ų | 144 | 66.5 Ų | 66.5 | 67% | 0.673 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -53.5 | -36.3 | -175.7 | -174.1 | 177.9 | -178.4 | 0 | 0 | 113.4 | V312 I313 N314 | E310-V312 VanDerWaalsContact C-N 3.25Å; E310-V312 PolarHBondContact O-N 2.96Å; E310-I313 PolarHBondContact O-N 3.43Å; E310-N314 VanDerWaalsContact CG-ND2 3.33Å; E310-N314 WeakPolarHBondContact CG-ND2 3.39Å; E310-N314 WeakPolarHBondContact O-CB 3.35Å; E310-N314 PolarHBondContact O-N 3.48Å; E310-N314 PolarHBondContact OE1-ND2 2.84Å |
| 311 | A | 90 | Very high | 92.9 | Very high | 84 Ų | 84 | 74 Ų | 74 | 69% | 0.694 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60 | -31.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P309 S315 | P309-A311 PolarHBondContact O-N 3.41Å; P309-A311 VanDerWaalsContact O-N 3.09Å; A311-S315 WeakPolarHBondContact O-CB 3.31Å |
| 312 | V | 91.1 | Very high | 92.6 | Very high | 46 Ų | 46 | 77.6 Ų | 77.6 | 28% | 0.279 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -81.3 | -43 | 174.1 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | C303 E308 P309 E310 N314 S315 H316 | C303-V312 HydrophobicContact CB-CG1 4.45Å; E308-V312 HydrophobicContact CB-CB 4.34Å; E308-V312 HydrophobicContact CB-CG1 4.16Å; P309-V312 HydrophobicContact CG-CB 4.2Å; P309-V312 HydrophobicContact CG-CG2 3.84Å; P309-V312 WeakPolarHBondContact O-CA 3.37Å; P309-V312 WeakPolarHBondContact O-CB 3.28Å; P309-V312 PolarHBondContact O-N 2.91Å; E310-V312 VanDerWaalsContact C-N 3.25Å; E310-V312 PolarHBondContact O-N 2.96Å; V312-N314 VanDerWaalsContact C-N 3.29Å; V312-N314 PolarHBondContact O-N 3Å; V312-S315 PolarHBondContact O-N 2.93Å; V312-S315 PolarHBondContact O-OG 3.01Å; V312-H316 PolarHBondContact O-CE1 2.86Å; V312-H316 PolarHBondContact O-ND1 3.44Å |
| 313 | I | 93.9 | Very high | 92.4 | Very high | 22 Ų | 22 | 81.1 Ų | 81.1 | 11% | 0.113 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -55.2 | -46 | 176.4 | -62.7 | 172.4 | 0 | 0 | 0 | 110.9 | R298 H299 C300 C303 E304 E308 P309 E310 S315 | R298-I313 VanDerWaalsContact O-O 3.08Å; H299-I313 CarbonylContact C-O 3.32Å; H299-I313 WeakPolarHBondContact CA-O 3.46Å; H299-I313 WeakPolarHBondContact ND1-CG2 3.47Å; C300-I313 PolarHBondContact N-O 2.74Å; C303-I313 HydrophobicContact CB-CG1 4.2Å; E304-I313 HydrophobicContact CB-CD1 4.07Å; E304-I313 HydrophobicContact CB-CG1 4.38Å; E304-I313 HydrophobicContact CB-CG2 4.08Å; E304-I313 HydrophobicContact CG-CD1 4.4Å; E308-I313 HydrophobicContact CB-CG1 4.45Å; E308-I313 WeakPolarHBondContact O-CD1 3.39Å; P309-I313 PolarHBondContact O-N 3.47Å; E310-I313 PolarHBondContact O-N 3.43Å; I313-S315 PolarHBondContact O-N 3.15Å |
| 314 | N | 93 | Very high | 92.3 | Very high | 76 Ų | 76 | 86.5 Ų | 86.5 | 41% | 0.406 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 11 | -175.5 | -66.5 | -25.7 | 0 | 0 | 0 | 114.2 | R298 E310 V312 | R298-N314 CarbonylContact O-C 3.54Å; R298-N314 WeakPolarHBondContact O-CA 3.5Å; E310-N314 VanDerWaalsContact CG-ND2 3.33Å; E310-N314 WeakPolarHBondContact CG-ND2 3.39Å; E310-N314 WeakPolarHBondContact O-CB 3.35Å; E310-N314 PolarHBondContact O-N 3.48Å; E310-N314 PolarHBondContact OE1-ND2 2.84Å; V312-N314 VanDerWaalsContact C-N 3.29Å; V312-N314 PolarHBondContact O-N 3Å |
| 315 | S | 90.8 | Very high | 92.4 | Very high | 57 Ų | 57 | 82.2 Ų | 82.2 | 40% | 0.399 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -26.8 | 179.2 | 64 | 0 | 0 | 0 | 0 | 114.6 | R298 A311 V312 I313 | R298-S315 WeakPolarHBondContact CD-O 3.18Å; R298-S315 PolarHBondContact O-N 3.15Å; A311-S315 WeakPolarHBondContact O-CB 3.31Å; V312-S315 PolarHBondContact O-N 2.93Å; V312-S315 PolarHBondContact O-OG 3.01Å; I313-S315 PolarHBondContact O-N 3.15Å |
| 316 | H | 92.3 | Very high | 92.3 | Very high | 23 Ų | 23 | 79.6 Ų | 79.6 | 11% | 0.106 | 42% | 0.419 | C | S | . | . | trans | -152.8 | 157.2 | -170.9 | 62.3 | -82.8 | 0 | 0 | 0 | 112.3 | R298 H299 C300 V312 C327 | R298-H316 CarbonylContact C-O 3.18Å; R298-H316 CarbonylContact O-C 2.9Å; R298-H316 VanDerWaalsContact O-C 3.32Å; R298-H316 PolarHBondContact O-N 3.36Å; H299-H316 CarbonylContact C-O 3.21Å; C300-H316 WeakPolarHBondContact CB-NE2 3.44Å; C300-H316 VanDerWaalsContact CB-O 3.26Å; C300-H316 WeakPolarHBondContact CB-O 3.39Å; C300-H316 PolarHBondContact N-O 3.17Å; C300-H316 VanDerWaalsContact N-O 3.16Å; C300-H316 PolarHBondContact SG-NE2 3Å; V312-H316 PolarHBondContact O-CE1 2.86Å; V312-H316 PolarHBondContact O-ND1 3.44Å; H316-C327 VanDerWaalsContact CD2-CA 3.42Å; H316-C327 WeakPolarHBondContact CD2-CA 3.36Å; H316-C327 PolarHBondContact NE2-SG 3.31Å | ||
| 317 | S | 93.6 | Very high | 92.4 | Very high | 42 Ų | 42 | 76 Ų | 76 | 29% | 0.294 | 40% | 0.4 | S | S | . | . | trans | -87.4 | 162.2 | 167.3 | 55.8 | 0 | 0 | 0 | 0 | 111.3 | R319 L326 | S317-R319 PolarHBondContact O-N 3.02Å; S317-R319 PolarHBondContact OG-O 3.48Å; S317-L326 WeakPolarHBondContact O-CB 3.34Å | ||
| 318 | V | 93.4 | Very high | 92.4 | Very high | 37 Ų | 37 | 72.4 Ų | 72.4 | 22% | 0.224 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -62.2 | -43.4 | 175.6 | -173.7 | 0 | 0 | 0 | 0 | 111.3 | V301 F302 L326 C327 L330 | V301-V318 HydrophobicContact CB-CG2 4.21Å; F302-V318 HydrophobicContact CB-CG1 4.47Å; F302-V318 HydrophobicContact CB-CG2 4.33Å; V318-L326 PolarHBondContact O-N 2.94Å; V318-C327 PolarHBondContact O-N 3.19Å; V318-L330 HydrophobicContact CG1-CD2 4.31Å |
| 319 | R | 92.7 | Very high | 92.4 | Very high | 136 Ų | 136 | 74.9 Ų | 74.9 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -131.5 | 157.9 | 179.7 | -66.4 | -176.1 | -178.4 | 179.1 | 0.5 | 112.3 | S317 R324 | S317-R319 PolarHBondContact O-N 3.02Å; S317-R319 PolarHBondContact OG-O 3.48Å; R319-R324 CarbonylContact C-O 3.52Å; R319-R324 WeakPolarHBondContact CA-O 3.39Å |
| 320 | D | 90.9 | Very high | 92.5 | Very high | 34 Ų | 34 | 71.6 Ų | 71.6 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | trans | -83.9 | 167.3 | 174.2 | -166.1 | 7.7 | 0 | 0 | 0 | 112 | F322 N323 R324 L326 | D320-F322 PolarHBondContact O-N 3.49Å; D320-F322 VanDerWaalsContact O-N 3.16Å; D320-F322 WeakPolarHBondContact OD2-CD2 3.41Å; D320-N323 PolarHBondContact O-N 2.93Å; D320-R324 HydrophobicContact CB-CB 4.37Å; D320-R324 PolarHBondContact N-O 3.45Å; D320-R324 IonicContact OD2-CZ 3.47Å; D320-R324 IonicContact OD2-NE 3.38Å; D320-R324 PolarHBondContact OD2-NE 3.41Å; D320-R324 IonicContact OD2-NH2 2.71Å; D320-R324 PolarHBondContact OD2-NH2 3.44Å; D320-L326 HydrophobicContact CB-CD1 3.74Å; D320-L326 HydrophobicContact CB-CD2 4.23Å; D320-L326 HydrophobicContact CB-CG 3.81Å | ||
| 321 | N | 90.8 | Very high | 92.7 | Very high | 158 Ų | 158 | 68.9 Ų | 68.9 | 85% | 0.845 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.9 | 169.3 | -68.4 | 105 | 0 | 0 | 0 | 112.8 | N323 | N321-N323 VanDerWaalsContact C-N 3.29Å; N321-N323 PolarHBondContact O-N 3.13Å |
| 322 | F | 87.8 | Confident | 92.9 | Very high | 160 Ų | 160 | 70.1 Ų | 70.1 | 70% | 0.702 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 17.1 | 174.7 | -61.2 | -80.2 | 0 | 0 | 0 | 113.9 | D320 R324 | D320-F322 PolarHBondContact O-N 3.49Å; D320-F322 VanDerWaalsContact O-N 3.16Å; D320-F322 WeakPolarHBondContact OD2-CD2 3.41Å; F322-R324 HydrophobicContact CB-CG 4.4Å; F322-R324 PolarHBondContact O-N 3Å |
| 323 | N | 89.4 | Confident | 93.1 | Very high | 118 Ų | 118 | 72.1 Ų | 72.1 | 63% | 0.631 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 60.4 | 2.7 | -177.2 | -80.5 | -65.2 | 0 | 0 | 0 | 117.1 | D320 N321 | D320-N323 PolarHBondContact O-N 2.93Å; N321-N323 VanDerWaalsContact C-N 3.29Å; N321-N323 PolarHBondContact O-N 3.13Å |
| 324 | R | 92.6 | Very high | 93.2 | Very high | 113 Ų | 113 | 75.1 Ų | 75.1 | 43% | 0.426 | 38% | 0.378 | S | S | . | . | trans | -68.4 | 145.6 | 172.8 | -57.7 | 178.1 | -63.7 | -177 | -0.1 | 111 | R319 D320 F322 L326 D343 | R319-R324 CarbonylContact C-O 3.52Å; R319-R324 WeakPolarHBondContact CA-O 3.39Å; D320-R324 HydrophobicContact CB-CB 4.37Å; D320-R324 PolarHBondContact N-O 3.45Å; D320-R324 IonicContact OD2-CZ 3.47Å; D320-R324 IonicContact OD2-NE 3.38Å; D320-R324 PolarHBondContact OD2-NE 3.41Å; D320-R324 IonicContact OD2-NH2 2.71Å; D320-R324 PolarHBondContact OD2-NH2 3.44Å; F322-R324 HydrophobicContact CB-CG 4.4Å; F322-R324 PolarHBondContact O-N 3Å; R324-L326 PolarHBondContact O-N 3.21Å; R324-D343 HydrophobicContact CB-CB 4.43Å; R324-D343 HydrophobicContact CG-CB 4.48Å | ||
| 325 | V | 95.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.018 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -70.4 | 124.3 | 174.2 | -179 | 0 | 0 | 0 | 0 | 110.9 | C327 L330 R331 D343 A345 | V325-C327 HydrophobicContact CG1-CB 4.38Å; V325-L330 HydrophobicContact CG1-CB 3.89Å; V325-L330 HydrophobicContact CG1-CD2 3.79Å; V325-L330 HydrophobicContact CG1-CG 3.86Å; V325-L330 HydrophobicContact CG2-CD2 4.35Å; V325-R331 HydrophobicContact CB-CG 4.26Å; V325-R331 HydrophobicContact CG1-CG 3.9Å; V325-R331 WeakPolarHBondContact O-CD 3.46Å; V325-R331 PolarHBondContact O-NH1 3.29Å; V325-D343 PolarHBondContact N-O 2.84Å; V325-A345 HydrophobicContact CG2-CB 4.48Å; V325-A345 VanDerWaalsContact CG2-O 3.28Å; V325-A345 WeakPolarHBondContact CG2-O 3.4Å |
| 326 | L | 94.6 | Very high | 93.7 | Very high | 72 Ų | 72 | 74 Ų | 74 | 38% | 0.377 | 37% | 0.373 | S | S | . | . | trans | -97.2 | -26 | 174.5 | -73.5 | 175.4 | 0 | 0 | 0 | 113 | S317 V318 D320 R324 P328 | S317-L326 WeakPolarHBondContact O-CB 3.34Å; V318-L326 PolarHBondContact O-N 2.94Å; D320-L326 HydrophobicContact CB-CD1 3.74Å; D320-L326 HydrophobicContact CB-CD2 4.23Å; D320-L326 HydrophobicContact CB-CG 3.81Å; R324-L326 PolarHBondContact O-N 3.21Å; L326-P328 WeakPolarHBondContact O-CD 3.45Å | ||
| 327 | C | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 41% | 0.405 | C | S | . | . | trans | -61.8 | 117.3 | -177.8 | 177 | 0 | 0 | 0 | 0 | 112.2 | C303 H316 V318 V325 K329 L330 R331 | C303-C327 VanDerWaalsContact SG-SG 3.63Å; H316-C327 VanDerWaalsContact CD2-CA 3.42Å; H316-C327 WeakPolarHBondContact CD2-CA 3.36Å; H316-C327 PolarHBondContact NE2-SG 3.31Å; V318-C327 PolarHBondContact O-N 3.19Å; V325-C327 HydrophobicContact CG1-CB 4.38Å; C327-K329 VanDerWaalsContact C-N 3.3Å; C327-K329 PolarHBondContact O-N 3.04Å; C327-L330 HydrophobicContact CB-CB 4.01Å; C327-L330 PolarHBondContact O-N 3.47Å; C327-R331 VanDerWaalsContact O-CG 3.25Å; C327-R331 WeakPolarHBondContact O-CG 3.4Å; C327-R331 PolarHBondContact O-N 3.36Å | ||
| 328 | P | 94.3 | Very high | 94.1 | Very high | 71 Ų | 71 | 82 Ų | 82 | 46% | 0.461 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.2 | -35.8 | -175.5 | 24.7 | -33.2 | 0 | 0 | 0 | 112.4 | L326 R331 T332 | L326-P328 WeakPolarHBondContact O-CD 3.45Å; P328-R331 PolarHBondContact O-N 3.23Å; P328-T332 PolarHBondContact O-N 2.9Å; P328-T332 VanDerWaalsContact O-N 3.08Å; P328-T332 PolarHBondContact O-OG1 3.14Å |
| 329 | K | 94.1 | Very high | 94.1 | Very high | 97 Ų | 97 | 82.5 Ų | 82.5 | 42% | 0.422 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 176.7 | -63.2 | -77.2 | 178.4 | 131 | 0 | 111.6 | F302 E308 C327 T332 Y333 | F302-K329 HydrophobicContact CD1-CB 4.43Å; F302-K329 HydrophobicContact CE1-CB 3.99Å; E308-K329 VanDerWaalsContact CD-NZ 3.34Å; E308-K329 WeakPolarHBondContact OE1-CE 3.39Å; E308-K329 IonicContact OE1-NZ 2.63Å; E308-K329 PolarHBondContact OE1-NZ 3Å; E308-K329 IonicContact OE2-NZ 3.28Å; E308-K329 PolarHBondContact OE2-NZ 2.79Å; C327-K329 VanDerWaalsContact C-N 3.3Å; C327-K329 PolarHBondContact O-N 3.04Å; K329-T332 PolarHBondContact O-N 2.85Å; K329-T332 PolarHBondContact O-OG1 3.41Å; K329-Y333 PolarHBondContact O-N 3.46Å |
| 330 | L | 95 | Very high | 94.2 | Very high | 11 Ų | 11 | 77 Ų | 77 | 6% | 0.058 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.2 | -38.4 | 176.4 | -173.7 | 56.8 | 0 | 0 | 0 | 111.3 | F302 V318 V325 C327 T332 Y333 A345 T347 | F302-L330 HydrophobicContact CD1-CB 4Å; F302-L330 HydrophobicContact CD2-CD1 4.47Å; F302-L330 HydrophobicContact CE1-CB 3.9Å; F302-L330 HydrophobicContact CE1-CD1 4.48Å; F302-L330 HydrophobicContact CE2-CD1 3.97Å; F302-L330 HydrophobicContact CG-CB 4.42Å; F302-L330 HydrophobicContact CZ-CB 4.25Å; F302-L330 HydrophobicContact CZ-CD1 3.96Å; V318-L330 HydrophobicContact CG1-CD2 4.31Å; V325-L330 HydrophobicContact CG1-CB 3.89Å; V325-L330 HydrophobicContact CG1-CD2 3.79Å; V325-L330 HydrophobicContact CG1-CG 3.86Å; V325-L330 HydrophobicContact CG2-CD2 4.35Å; C327-L330 HydrophobicContact CB-CB 4.01Å; C327-L330 PolarHBondContact O-N 3.47Å; L330-T332 VanDerWaalsContact C-N 3.26Å; L330-T332 PolarHBondContact O-N 3.09Å; L330-Y333 VanDerWaalsContact O-CB 3.27Å; L330-Y333 WeakPolarHBondContact O-CB 3.47Å; L330-Y333 PolarHBondContact O-N 3.14Å; L330-A345 HydrophobicContact CG-CB 4.25Å; L330-A345 WeakPolarHBondContact O-CB 3.43Å; L330-T347 HydrophobicContact CD1-CG2 4.08Å |
| 331 | R | 96.1 | Very high | 94.4 | Very high | 87 Ų | 87 | 77.5 Ų | 77.5 | 33% | 0.328 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.3 | -33.2 | 175 | -70.8 | 174.4 | 73.9 | 79.9 | 8.2 | 113.3 | V325 C327 P328 Y333 S341 G342 D343 | V325-R331 HydrophobicContact CB-CG 4.26Å; V325-R331 HydrophobicContact CG1-CG 3.9Å; V325-R331 WeakPolarHBondContact O-CD 3.46Å; V325-R331 PolarHBondContact O-NH1 3.29Å; C327-R331 VanDerWaalsContact O-CG 3.25Å; C327-R331 WeakPolarHBondContact O-CG 3.4Å; C327-R331 PolarHBondContact O-N 3.36Å; P328-R331 PolarHBondContact O-N 3.23Å; R331-Y333 VanDerWaalsContact C-N 3.31Å; R331-S341 PolarHBondContact O-OG 3.18Å; R331-S341 VanDerWaalsContact O-OG 3.1Å; R331-G342 WeakPolarHBondContact O-CA 3.36Å; R331-G342 PolarHBondContact O-N 2.92Å; R331-D343 IonicContact CZ-OD1 3.16Å; R331-D343 IonicContact NH1-OD1 2.65Å; R331-D343 PolarHBondContact NH1-OD1 3.2Å; R331-D343 IonicContact NH2-OD1 2.76Å; R331-D343 PolarHBondContact NH2-OD1 3.47Å |
| 332 | T | 94.3 | Very high | 94.6 | Very high | 110 Ų | 110 | 70.9 Ų | 70.9 | 68% | 0.675 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -11.9 | 175.4 | 48.2 | 0 | 0 | 0 | 0 | 114.2 | P328 K329 L330 | P328-T332 PolarHBondContact O-N 2.9Å; P328-T332 VanDerWaalsContact O-N 3.08Å; P328-T332 PolarHBondContact O-OG1 3.14Å; K329-T332 PolarHBondContact O-N 2.85Å; K329-T332 PolarHBondContact O-OG1 3.41Å; L330-T332 VanDerWaalsContact C-N 3.26Å; L330-T332 PolarHBondContact O-N 3.09Å |
| 333 | Y | 95.4 | Very high | 94.9 | Very high | 87 Ų | 87 | 67 Ų | 67 | 34% | 0.341 | 38% | 0.375 | S | S | . | . | trans | -73.2 | 141.5 | 174.2 | -173.1 | -105.1 | 0 | 0 | 0 | 110.3 | K329 L330 R331 C335 P336 S341 H346 T347 | K329-Y333 PolarHBondContact O-N 3.46Å; L330-Y333 VanDerWaalsContact O-CB 3.27Å; L330-Y333 WeakPolarHBondContact O-CB 3.47Å; L330-Y333 PolarHBondContact O-N 3.14Å; R331-Y333 VanDerWaalsContact C-N 3.31Å; Y333-C335 HydrophobicContact CE1-CB 4.44Å; Y333-P336 VanDerWaalsContact OH-CD 3.22Å; Y333-P336 WeakPolarHBondContact OH-CD 3.37Å; Y333-S341 WeakPolarHBondContact O-CA 3.27Å; Y333-S341 VanDerWaalsContact O-CB 3.31Å; Y333-S341 WeakPolarHBondContact O-CB 3.49Å; Y333-S341 PolarHBondContact O-OG 3.27Å; Y333-H346 WeakPolarHBondContact CD1-O 3.47Å; Y333-H346 WeakPolarHBondContact CE1-O 3.35Å; Y333-T347 HydrophobicContact CE1-CG2 4.42Å | ||
| 334 | V | 95.9 | Very high | 95.1 | Very high | 86 Ų | 86 | 65 Ų | 65 | 52% | 0.521 | 37% | 0.37 | S | S | . | . | trans | -116.9 | 116.3 | 173.3 | -178 | 0 | 0 | 0 | 0 | 106.5 | P336 | V334-P336 WeakPolarHBondContact O-CD 3.14Š| ||
| 335 | C | 97.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.014 | 35% | 0.351 | C | S | . | . | trans | -61.8 | 123.1 | -179.5 | 176 | 0 | 0 | 0 | 0 | 110.2 | Y333 I337 G339 A340 H346 | Y333-C335 HydrophobicContact CE1-CB 4.44Å; C335-I337 PolarHBondContact O-N 3.38Å; C335-G339 VanDerWaalsContact O-CA 3.27Å; C335-G339 WeakPolarHBondContact O-CA 3.44Å; C335-G339 PolarHBondContact O-N 3.5Å; C335-A340 PolarHBondContact N-O 3.01Å; C335-H346 PolarHBondContact SG-NE2 3.07Å | ||
| 336 | P | 96.1 | Very high | 95.1 | Very high | 106 Ų | 106 | 63 Ų | 63 | 69% | 0.688 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -13.3 | -177.4 | 28.5 | -35.5 | 0 | 0 | 0 | 113.5 | Y333 V334 | Y333-P336 VanDerWaalsContact OH-CD 3.22Å; Y333-P336 WeakPolarHBondContact OH-CD 3.37Å; V334-P336 WeakPolarHBondContact O-CD 3.14Å |
| 337 | I | 96.9 | Very high | 94.9 | Very high | 154 Ų | 154 | 65.5 Ų | 65.5 | 79% | 0.79 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -40.8 | -178.4 | -55.2 | 174.7 | 0 | 0 | 0 | 111.3 | C335 | C335-I337 PolarHBondContact O-N 3.38Š|
| 338 | C | 96.9 | Very high | 94.9 | Very high | 79 Ų | 79 | 68.8 Ų | 68.8 | 53% | 0.534 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | -4.2 | -172.9 | 71.6 | 0 | 0 | 0 | 0 | 115.4 | A340 H346 | C338-A340 PolarHBondContact O-N 3.5Å; C338-A340 VanDerWaalsContact SG-CB 3.52Å; C338-H346 PolarHBondContact SG-CE1 2.85Å; C338-H346 PolarHBondContact SG-NE2 3.35Å; C338-H346 VanDerWaalsContact SG-NE2 3.44Å |
| 339 | G | 93.9 | Very high | 95 | Very high | 48 Ų | 48 | 68.7 Ų | 68.7 | 50% | 0.495 | 40% | 0.401 | S | S | . | . | trans | 73.6 | 2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | C335 | C335-G339 VanDerWaalsContact O-CA 3.27Å; C335-G339 WeakPolarHBondContact O-CA 3.44Å; C335-G339 PolarHBondContact O-N 3.5Å | ||
| 340 | A | 95.6 | Very high | 95 | Very high | 21 Ų | 21 | 67.1 Ų | 67.1 | 17% | 0.174 | 40% | 0.4 | C | S | . | . | trans | -64.2 | 139.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C335 C338 | C335-A340 PolarHBondContact N-O 3.01Å; C338-A340 PolarHBondContact O-N 3.5Å; C338-A340 VanDerWaalsContact SG-CB 3.52Å | ||
| 341 | S | 95.3 | Very high | 95 | Very high | 44 Ų | 44 | 70.4 Ų | 70.4 | 31% | 0.308 | 42% | 0.42 | S | S | . | . | trans | -155.4 | 175.6 | -177.2 | -165.3 | 0 | 0 | 0 | 0 | 110.7 | R331 Y333 D343 S344 | R331-S341 PolarHBondContact O-OG 3.18Å; R331-S341 VanDerWaalsContact O-OG 3.1Å; Y333-S341 WeakPolarHBondContact O-CA 3.27Å; Y333-S341 VanDerWaalsContact O-CB 3.31Å; Y333-S341 WeakPolarHBondContact O-CB 3.49Å; Y333-S341 PolarHBondContact O-OG 3.27Å; S341-D343 PolarHBondContact O-N 2.84Å; S341-S344 PolarHBondContact O-N 3.03Å; S341-S344 PolarHBondContact O-OG 3.17Å | ||
| 342 | G | 94.3 | Very high | 95 | Very high | 19 Ų | 19 | 69.4 Ų | 69.4 | 20% | 0.196 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | 62.2 | -124 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | R331 S344 A345 | R331-G342 WeakPolarHBondContact O-CA 3.36Å; R331-G342 PolarHBondContact O-N 2.92Å; G342-S344 PolarHBondContact O-N 2.88Å; G342-A345 WeakPolarHBondContact O-CB 3.48Å; G342-A345 PolarHBondContact O-N 2.99Å |
| 343 | D | 94.4 | Very high | 95 | Very high | 78 Ų | 78 | 66.7 Ų | 66.7 | 42% | 0.417 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -61.7 | -28.9 | -175.5 | -70.4 | -3.8 | 0 | 0 | 0 | 113.6 | R324 V325 R331 S341 | R324-D343 HydrophobicContact CB-CB 4.43Å; R324-D343 HydrophobicContact CG-CB 4.48Å; V325-D343 PolarHBondContact N-O 2.84Å; R331-D343 IonicContact CZ-OD1 3.16Å; R331-D343 IonicContact NH1-OD1 2.65Å; R331-D343 PolarHBondContact NH1-OD1 3.2Å; R331-D343 IonicContact NH2-OD1 2.76Å; R331-D343 PolarHBondContact NH2-OD1 3.47Å; S341-D343 PolarHBondContact O-N 2.84Å |
| 344 | S | 93.2 | Very high | 95 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 54% | 0.538 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -107.4 | 13.2 | -178.3 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | S341 G342 H346 | S341-S344 PolarHBondContact O-N 3.03Å; S341-S344 PolarHBondContact O-OG 3.17Å; G342-S344 PolarHBondContact O-N 2.88Å; S344-H346 PolarHBondContact O-ND1 3.45Å; S344-H346 VanDerWaalsContact O-ND1 3.14Å |
| 345 | A | 94.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 63.6 Ų | 63.6 | 2% | 0.017 | 41% | 0.405 | C | S | . | . | trans | -59.6 | 142.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V325 L330 G342 | V325-A345 HydrophobicContact CG2-CB 4.48Å; V325-A345 VanDerWaalsContact CG2-O 3.28Å; V325-A345 WeakPolarHBondContact CG2-O 3.4Å; L330-A345 HydrophobicContact CG-CB 4.25Å; L330-A345 WeakPolarHBondContact O-CB 3.43Å; G342-A345 WeakPolarHBondContact O-CB 3.48Å; G342-A345 PolarHBondContact O-N 2.99Å | ||
| 346 | H | 93.5 | Very high | 94.7 | Very high | 73 Ų | 73 | 68.8 Ų | 68.8 | 34% | 0.338 | 44% | 0.438 | S | S | . | . | trans | -154.9 | 151.9 | 174.2 | 55.6 | -88.1 | 0 | 0 | 0 | 108.9 | Y333 C335 C338 S344 | Y333-H346 WeakPolarHBondContact CD1-O 3.47Å; Y333-H346 WeakPolarHBondContact CE1-O 3.35Å; C335-H346 PolarHBondContact SG-NE2 3.07Å; C338-H346 PolarHBondContact SG-CE1 2.85Å; C338-H346 PolarHBondContact SG-NE2 3.35Å; C338-H346 VanDerWaalsContact SG-NE2 3.44Å; S344-H346 PolarHBondContact O-ND1 3.45Å; S344-H346 VanDerWaalsContact O-ND1 3.14Å | ||
| 347 | T | 91.9 | Very high | 94.6 | Very high | 124 Ų | 124 | 65.4 Ų | 65.4 | 76% | 0.761 | 42% | 0.415 | S | S | * | . | trans | -82.4 | 0 | 165.6 | 54 | 0 | 0 | 0 | 0 | 109.9 | F302 L330 Y333 | F302-T347 HydrophobicContact CE2-CG2 3.85Å; F302-T347 HydrophobicContact CZ-CG2 4.4Å; L330-T347 HydrophobicContact CD1-CG2 4.08Å; Y333-T347 HydrophobicContact CE1-CG2 4.42Å |
Retrieved 347 of 347 residues in 334.4 ms
(Link to these results)